52659-56-0
kirenol
CAS: 52659-56-0
Molecular Formula: C20H34O4
52659-56-0 - Names and Identifiers
| Name | kirenol |
| Synonyms | Kirel kirenol Kirenol KIRENOL(P) (1R)-1-[(2S,4aR,4bS,6S,8R,8aS)-6-hydroxy-8-(hydroxymethyl)-2,4b,8-trimethyl-4,4a,5,6,7,8a,9,10-octahydro-3H-phenanthren-2-yl]ethane-1,2-diol (1R,3S,4aS,4bS,7S,10aS)-1,2,3,4,4a,4b,5,6,7,9,10,10a-Dodecahydro-3-hydroxy-7-[(R)-1,2-dihydroxyethyl]-1,4a,7-trimethylphenanthrene-1-methanol 1,7-Phenanthrenedimethanol, 1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydro-3-hydroxy-α7-(hydroxymethyl)-1,4a,7-trimethyl-, (α7R,1R,3S,4aS,4bR,7S,10aS)- 1,7-PhenanthrenediMethanol,1,2,3,4,4a,4b,5,6,7,- 9,10,10a-dodecahydro-3-hydroxy-R7- (hydroxyMethyl)-1,4a,7-triMethyl-,(R7R,1R,- 3S,4aS,4bR,7S,10aS)- |
| CAS | 52659-56-0 |
| InChI | InChI=1/C20H34O4/c1-18(17(24)11-21)7-6-15-13(8-18)4-5-16-19(2,12-22)9-14(23)10-20(15,16)3/h8,14-17,21-24H,4-7,9-12H2,1-3H3/t14-,15-,16-,17+,18+,19+,20+/m1/s1 |
52659-56-0 - Physico-chemical Properties
| Molecular Formula | C20H34O4 |
| Molar Mass | 338.49 |
| Density | 1.17±0.1 g/cm3(Predicted) |
| Melting Point | 197.0 to 201.0 °C |
| Boling Point | 516.9±35.0 °C(Predicted) |
| Specific Rotation(α) | (c, 0.2 in EtOH)-20 |
| Solubility | Completely dissolved in ethanol, methanol, DMSO and other solvents. |
| Appearance | White powder |
| Color | White to Light Yellow |
| pKa | 14.06±0.20(Predicted) |
| Storage Condition | -20°C Freezer |
| Refractive Index | 1.57 |
| MDL | MFCD00210519 |
| Physical and Chemical Properties | Yellow crystalline powder, soluble in methanol, insoluble in water, derived from the herb. |
52659-56-0 - Risk and Safety
| Safety Description | 24/25 - Avoid contact with skin and eyes. |
| RTECS | SF7352310 |
| HS Code | 29399990 |
52659-56-0 - Reference
| Reference Show more | 1. Huang Shiying, Zhang Lijuan, Ke Longhua, Peng yunjiao, Liu Yao, Shen Yunxia, Chen Yuanyun, He Lin, Teng Xifeng. Optimization of extraction process of Tongtong gel plaster by Box-Behnken response surface methodology [J]. Journal of Guangdong Pharmaceutical University, 2017,33(01):37-42. 2. [IF = 5.81] Ting Jiang et al."Metabolomics the mechanism for the Pulmonary Toxicity of siegesbeccia orientalis L. and the Toxicity-Reducing Effect of Processing." Front Pharmacol. 2021; 12: 630319 |
52659-56-0 - Reference Information
| biological activity | Kirenol is isolated from Siegesbeckia orientalis and has anti-inflammatory and analgesic effects. |
| use | chinonol has the effects of dispelling wind and dampness, anti-inflammatory and enhancing immunity. used for content determination/identification/pharmacological experiment, etc. Pharmacological effects: anti-inflammatory; immunomodulatory effects. |
Last Update：2024-04-09 20:44:15
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