mollugin
mollugin
CAS: 55481-88-4
Molecular Formula: C17H16O4
mollugin - Names and Identifiers
| Name | mollugin |
| Synonyms | MOLLUGIN mollugin MOLLUGIN RUBIMAILLIN Rubimaillin 6-hydroxy-2, 2-dimethyl-, methylester 2H-Naphtho[1,2-b]pyran-5-carboxylic acid Methyl 6-hydroxy-2,2-dimethylbenzo[h]chromene-5-carboxylate Methyl 6-hydroxy-2,2-dimethyl-2H-benzo[h]chromene-5-carboxylate 6-Hydroxy-2,2-dimethyl-2H-naphtho[1,2-b]pyran-5-carboxylic acid methyl ester 2,2-Dimethyl-6-hydroxy-2H-naphtho[1,2-b]pyran-5-carboxylic acid methyl ester 2H-naphtho[1,2-b]pyran-5-carboxylic acid, 6-hydroxy-2,2-dimethyl-, methyl ester |
| CAS | 55481-88-4 |
| EINECS | 683-209-5 |
| InChI | InChI=1/C17H16O4/c1-17(2)9-8-12-13(16(19)20-3)14(18)10-6-4-5-7-11(10)15(12)21-17/h4-9,18H,1-3H3 |
mollugin - Physico-chemical Properties
| Molecular Formula | C17H16O4 |
| Molar Mass | 284.31 |
| Density | 1.239±0.06 g/cm3(Predicted) |
| Melting Point | 132～134℃ |
| Boling Point | 453.2±45.0 °C(Predicted) |
| Flash Point | 167.5°C |
| Solubility | Soluble in benzene, DMSO and other solvents, insoluble in water. |
| Vapor Presure | 7.86E-09mmHg at 25°C |
| Appearance | Yellow crystal |
| Color | Yellow to Green |
| pKa | 8.40±0.40(Predicted) |
| Storage Condition | 2-8°C |
| Refractive Index | 1.618 |
| MDL | MFCD02752331 |
| Physical and Chemical Properties | Dried roots from Rubia cordifolia L. |
mollugin - Risk and Safety
| Safety Description | 24/25 - Avoid contact with skin and eyes. |
| HS Code | 29329990 |
mollugin - Reference Information
| Basic information | Molecular formula C17H16O4 Molecular weight 284.10 appearance Light Yellow Flake Crystal, melting point 128-130 °c (ethanol). soluble in chloroform, benzene, ethyl acetate, soluble in ether, methanol and acetone, slightly soluble in ethanol, insoluble in water, soluble in potassium hydroxide or sodium hydroxide aqueous solution. Bright yellow fluorescence under UV light (365nm). molecular structure uvΔmaxc2h5ohnm (lg ε): 216 (4.24),230 (4.21),236 (4.21),246 (4.22),264(sh),271 (4.26),281 (4.26),355 (3.53),391 (3.68). irΔmaxkbrcm-1: 3600 (OH),2960,1640 (C = O),1630,1580,1445,1382,1353,1333,1280,1240,1155,1125,1003,797,760,670. 1HNMR(CDCl3)δ:1.47 (6h, s,2 × CH3),3.98 (3H,s,-C-OCH3 ),5.62(d,J = 10Hz),7.08 (d,J = 10Hz) -HC = CH,7.36 (α H,m),8.13 (1H,m)8.33 (1H,m), hydrogen on the aromatic ring, 11.71 (OH, disappeared after heavy water exchange). 13CNMR (CDCl3)δ:156.5 [s,C2(1′)],112.5[s,C3(2′)],121.9 (d,C4),129.2 (d,C5),74.5 (s,C6),26.3 (C9,C7,8),102.2 (s,C3 '),141.6 (s,C4'),122.3 (d,C5 '),126.2 (d,C6'),128.7 (d,C7 '),124.1 (d,C3'),129.0 (s,C3 '),125.1 (s,C10'),172.4 (s,C11 '),62.1 (q,C12'). MS m/z:284, ↑. [1] |
| extraction source | dried roots and rhizomes of Rubia cordiqolia L. |
| determination of content | HPLC method (1) chromatographic conditions silica gel bonded with eighteen alkyl silanes was used as filler; methanol-water-tetrahydrofuran (310:90:3) was used as mobile phase. The detection wavelength was 250nm. The number of theoretical plates is not less than 4000 calculated as the peak of alizarin. (2) preparation of solution of reference substance an appropriate amount of the reference substance of alizarin orientalis was accurately weighed, and methanol was added to prepare a solution containing 80 μg per ml. (3) preparation of sample solution: take about 0.2g of cordifolia powder for precision weighing, place it in a plug Erlenmeyer flask, add 25ml of methanol for precision weighing, and soak it overnight, ultrasonic treatment for 30min, cooling, weighing, with methanol to make up the weight loss, shake, filter, take the filtrate, obtained. (4) measurement: 5 μl of each of the reference substance and the sample solution were accurately picked up, respectively, and injected into a liquid chromatograph for measurement. (5) chromatogram FIG. 1 HPLC chromatogram |
| spectrum analysis diagram | FIG. 2 1H-NMR spectrum of alizarin (partially enlarged) FIG. 3 13C-NMR spectra of alizarin (150 MHz,DMSO-d6) |
| reference material | [1] Liu Yongjie, Bai Yili. Studies on the chemical constituents of alizarin. Journal of Pharmacy, 1985,20 (1):53 [2] Sun Wenji, Xie Shichang, ed.; Zhao Yan, Zhang xingqun, Chen Qianliang, etc. Quantitative analysis of natural medicines. Beijing: Chinese Medical Science and Technology Press. 2003. Pp. 391-393. [3] Chen Haisheng, editor-in-chief. Comprehensive analysis of practical spectra. Shanghai: Second Military Medical University Press. 2011. Page 189-194. |
| Use | for content determination/identification/pharmacological experiments. Pharmacological Efficacy: cooling blood, hemostasis, blood stasis and other effects. |
Last Update：2024-04-09 15:16:51
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Tel: 18301782025
Email: 3008007409@qq.com
Mobile: 18021002903
QQ: 3008007409
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