(4aS)-4a,5,6,7,8,8a,9,9a-Octahydro-9aβ-hydroxy-3,8aβ-dimethyl-5-methylenenaphtho[2,3-b]furan-2(4H)-one
atractylenolideⅢ
CAS: 73030-71-4
Molecular Formula: C15H20O3
(4aS)-4a,5,6,7,8,8a,9,9a-Octahydro-9aβ-hydroxy-3,8aβ-dimethyl-5-methylenenaphtho[2,3-b]furan-2(4H)-one - Names and Identifiers
| Name | atractylenolideⅢ |
| Synonyms | ICodonolactone ATRACTYLENOLIDE atractylenolideⅢ Atractylenolide III ATRACTYLENOLIDE III 8-HYDROXYASTEROLIDE Atractylenolide beta Atractylenolide III (ICodonolactone (4aS,8aR,9aS)-9a-Hydroxy-3,8a-dimethyl-5-methylidene-4,4a,6,7,8,9-hexahydrobenzo[f][1]benzoxol-2-one (4aS)-4a,5,6,7,8,8a,9,9a-Octahydro-9aβ-hydroxy-3,8aβ-dimethyl-5-methylenenaphtho[2,3-b]furan-2(4H)-one (4aS,8aR,9aS)-9a-hydroxy-3,8a-dimethyl-5-methylidene-4a,5,6,7,8,8a,9,9a-octahydronaphtho[2,3-b]furan-2(4H)-one Naphtho(2,3-b)furan-2(4H)-one, 4a,5,6,7,8,8a,9,9a-octahydro-9a-hydroxy-3,8a-dimethyl-5-methylene-, (4aS,8aR,9aS)- |
| CAS | 73030-71-4 |
| InChI | InChI=1/C15H20O3/c1-9-5-4-6-14(3)8-15(17)12(7-11(9)14)10(2)13(16)18-15/h11,17H,1,4-8H2,2-3H3/t11-,14+,15-/m0/s1 |
| InChIKey | FBMORZZOJSDNRQ-GLQYFDAESA-N |
(4aS)-4a,5,6,7,8,8a,9,9a-Octahydro-9aβ-hydroxy-3,8aβ-dimethyl-5-methylenenaphtho[2,3-b]furan-2(4H)-one - Physico-chemical Properties
| Molecular Formula | C15H20O3 |
| Molar Mass | 248.32 |
| Density | 1.18±0.1 g/cm3(Predicted) |
| Melting Point | 166-169 °C(Solv: chloroform (67-66-3)) |
| Boling Point | 424.6±45.0 °C(Predicted) |
| Specific Rotation(α) | (c, 0.3 in CHCl3)+185.2 |
| Flash Point | 181.1°C |
| Solubility | DMSO : 50 mg/mL (201.35 mM; Need ultrasonic) |
| Vapor Presure | 5.46E-09mmHg at 25°C |
| Appearance | White needle crystal (petroleum ether-ethyl acetate) |
| Color | white to off-white |
| pKa | 10.73±0.60(Predicted) |
| Storage Condition | 2-8°C |
| Refractive Index | 1.558 |
| MDL | MFCD00238543 |
| Physical and Chemical Properties | White crystalline powder, soluble in methanol, ethanol, DMSO and other organic solvents, derived from atractyolodemacrocephalagoidz.. |
(4aS)-4a,5,6,7,8,8a,9,9a-Octahydro-9aβ-hydroxy-3,8aβ-dimethyl-5-methylenenaphtho[2,3-b]furan-2(4H)-one - Risk and Safety
| WGK Germany | 3 |
(4aS)-4a,5,6,7,8,8a,9,9a-Octahydro-9aβ-hydroxy-3,8aβ-dimethyl-5-methylenenaphtho[2,3-b]furan-2(4H)-one - Reference
| Reference Show more | 1. Zhang Dong, Zhouqi. Determination of Atractylodes macrocephala lactone Ⅰ and Atractylodes macrocephala lactone Ⅲ in Atractylodes macrocephala by HPLC [J]. Northern Pharmacy 2017 14(03):1-2. 2. Wang Qinghao, Zhang village, Wang Yun, etc. Study on quality transfer law of fried Codonopsis pilosula in processing process based on "inside and outside correlation" [J]. Chinese herbal medicine, 2019, 050(012):2848-2855. 3. Wang Jianjian. Optimization of extraction process of Atractylodes macrocephala lactone Ⅰ,Ⅱ,Ⅲ from Atractylodes macrocephala [J]. Chinese Journal of Experimental prescriptions, 2015. 4. Li Hongying, long Lan, Cheng Xinhua, Li Yajie, Huang Jianmin, super. Determination of Atractylodes macrocephala lactone Ⅰ and Atractylodes macrocephala lactone Ⅲ in Atractylodes macrocephala [J]. Journal of Hubei University for Nationalities (Natural Science Edition),2013,31(02):142-144. 5. Ding, Yi, Xue, Xu, Ji-Chang, Wu, Wei, et al. Simultaneous determination of four sesquiterpenes in Atractylodes macrocephala by HPLC [J]. Chinese patent medicine 2020 042(004):927-931. 6. Cao Shuli Zhao Chunjie Cai Li Xia Jing Minqi Li Yibai. Simultaneous determination of psoralen, isopsoralen, atractylenolide Ⅲ and isoimperatorin in Shenling Baizhu powder by UPLC [J]. Journal of Shenyang Pharmaceutical University 2018 35(07):568-573. 7. Feng Xin, Zhao Wenjun, Hou Ting, et al. Determination of 14 components in ermiao powder extract by UPLC-MS/MS [J]. Chinese Journal of Experimental prescriptions, 2017, 023(021):79-85. 8. Li Qin-yu, Wu Wei-gang, Cui Bo, et al. High performance liquid chromatography combined with multivariate statistical analysis for quality evaluation of Atractylodes lancea [J]. Journal of Pharmaceutical Analysis, 2018, v.38(04):56-66. 9. Zhou, Jing, Chen, Hui, Peng, et al. Simultaneous determination of seven components in Jiawei ermiao granules by HPLC and establishment of fingerprint [J]. Chinese patent medicine 2018 v.40(02):99-104. 10. Zheng, Fang, et al. "Identification of autotoxic compositions from Atractylodes macrocephala Koidz and preliminary investigations of IR infections on immune system." Journal of plant physiology 230 (2018): 33-39.https:// doi.org/10.1016/j. Jplph.2018, 8/006 11. Wang, Qian, et al. "Content determination of the major constituents of Yinchenzhufu decoction via ultra high-performance liquid chromatography coupled with electrospray ionisation tandem mass spectrometry." Journal of pharmaceutical and biomedical analysis 12. Wang, Qian, et al. "Content determination of the major constituents of Yinchenzhufu decoction via ultra high-performance liquid chromatography coupled with electrospray ionisation tandem mass spectrometry ." Journal of pharmaceutical and biomedical analysis 13. [IF=4.36] Qian Wang et al."Identification and pharmacokinetics of multiple constituents in rat plasma after oral administration of Yinchenzhufu decoction."J Ethnopharmacol. 2014 May;153:714 14. [IF=3.935] Qian Wang et al."Content determination of the major constituents of Yinchenzhufu decoction via ultra high-performance liquid chromatography coupled with electrospray ionisation tandem mass spectrometry."J Pharmaceut Biomed. 2013 Apr;77:88 15. [IF=4.759] Xu Wang et al."A rapid and practical prediction method for the Arizona solvent system family used in high speed countercurrent chromatography."J Chromatogr A. 2020 Oct;1629:461426 16. [IF=4.36] Xiaoli Zhao et al."Transcriptomic study of the mechanism by which the Kai Yu Zhong Yu recipe improves oocyte quality in a stressed mouse model."J Ethnopharmacol. 2021 Oct;278:114298 17. [IF=7.553] Lu Zhao et al.Multimodal Identification by Transcriptomics and Multiscale Bioassays of Active Components in Xuanfeibaidu Formula to Suppress Macrophage-Mediated Immune Response.Engineering-Prc. 2021 Nov;: 18. [IF=4.759] Gao-Yan Tong et al."Analysis of active compounds and geographical origin discrimination of Atractylodes macrocephala Koidz. by using high performance liquid chromatography-diode array detection fingerprints combined with chemometrics."JOURNAL OF CHROMATOGR 19. [IF=2.63] Zhou Peng et al."Exploring the Mechanism of Ling-Gui-Zhu-Gan Decoction in Ventricular Remodeling after Acute Myocardial Infarction Based on UPLC and In Vivo Experiments."Evidence-based Complementary and Alternative Medicine. 2022;2022:8593176 |
(4aS)-4a,5,6,7,8,8a,9,9a-Octahydro-9aβ-hydroxy-3,8aβ-dimethyl-5-methylenenaphtho[2,3-b]furan-2(4H)-one - Reference Information
| biological activity | Atractylodes macrocephala lactone III(Atractylenolide-III) is the main component of the rhizome of Atractylodes macrocephala Koidz. It has the activity of inducing apoptosis of lung cancer cells. |
| uses | Atractylodes macrocephala lactone III has anti-inflammatory, anti-tumor, regulating gastrointestinal function and promoting the absorption of nutrients. for content determination/identification/pharmacological experiments. Pharmacological Efficacy: anti-inflammatory, anti-tumor effect, the composition also has the function of regulating gastrointestinal function and promote the absorption of nutrients. |
| toxic substance data | information provided by: pubchem.ncbi.nlm.nih.gov (external link) |
Last Update：2024-04-09 21:01:54
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Product Name: Atractylenolide III Visit Supplier Webpage Request for quotationCAS: 73030-71-4
Tel: 18301782025
Email: 3008007409@qq.com
Mobile: 18021002903
QQ: 3008007409
Wechat: 18301782025
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