
CAS Number84745-94-8
Synonymsbenzoic acid, 4-hydroxy-, (3β,12β,14β,17α)-3,8,14,17-tetrahydroxy-20-oxopregn-5-en-12-yl ester; Quingyangshengenin; Qingyanshengenin; (3β,12β,14β)-3,8,14,17-Tetrahydroxy-20-oxopregn-5-en-12-yl 4-hydroxybenzoate; Benzoic acid, 4-hydroxy-, (3β,12β,14β)-3,8,14,17-tetrahydroxy-20-oxopregn-5-en-12-yl ester
Molecular FormulaC28H36O8
Molecular Weight500.59
Purity98.00%
Density1.4±0.1 g/cm3
Boiling Point686.4±55.0 °C at 760 mmHg
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 84745-94-8 |
| Catalog No. | 2A-9049109 |
| Chinese Name | 青阳参苷元 |
| Synonyms | benzoic acid, 4-hydroxy-, (3β,12β,14β,17α)-3,8,14,17-tetrahydroxy-20-oxopregn-5-en-12-yl ester; Quingyangshengenin; Qingyanshengenin; (3β,12β,14β)-3,8,14,17-Tetrahydroxy-20-oxopregn-5-en-12-yl 4-hydroxybenzoate; Benzoic acid, 4-hydroxy-, (3β,12β,14β)-3,8,14,17-tetrahydroxy-20-oxopregn-5-en-12-yl ester |
| Molecular Formula | C28H36O8 |
| Molecular Weight | 500.59 |
| Purity | 98.00 |
| Density | 1.4±0.1 g/cm3 |
| Boiling Point | 686.4±55.0 °C at 760 mmHg |
| Application | Qingyanshengenin (NSC 379666; compound 2) is a pregnane glycoside, a C21 steroid aglycone isolated from the roots of Cychuchumot ophyllum (Asclepiadaceae). Qingyanshengenin has anticancer activity. |
| PubChem ID | 577938 |
| MDL Number | C28H36O8 |
| SMILES | CC(=O)C1(O)CCC2(O)C3(O)CC=C4CC(O)CCC4(C)C3CC(OC(=O)c3ccc(O)cc3)C12C |
| InChI | InChI=1S/C28H36O9/c1-16(29)37-28(35)13-12-27(34)25(28,3)22(36-23(32)17-4-6-19(30)7-5-17)15-21-24(2)10-9-20(31)14-18(24)8-11-26(21,27)33/h4-8,20-22,30-31,33-35H,9-15H2,1-3H3/t20-,21+,22+,24-,25-,26-,27+,28+/m0/s1 |
| InChI Key | IMRGSWAJVVVYOW-UHFFFAOYSA-N |
| MSDS | msds/49109_1_84745_94_8.pdf |
| Transport Info | Product name: Qingyang ginseng aglycone |
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