| SpectraBase Compound ID | 7Cde4R00scE |
|---|---|
| InChI | InChI=1S/C25H38O7/c1-13(26)30-20-11-16-10-17(29)8-9-24(16,4)19-12-22(32-15(3)28)25(5)18(23(19)20)6-7-21(25)31-14(2)27/h16-23,29H,6-12H2,1-5H3 |
| InChIKey | KQVCGNQZEAYAMX-UHFFFAOYSA-N |
| Mol Weight | 450.6 g/mol |
| Molecular Formula | C25H38O7 |
| Exact Mass | 450.261754 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | AF7XfvUqtuX |
|---|---|
| Name | Androstane-3,7,12,17-tetrol, 7,12,17-triacetate, (3.alpha.,5.beta.,7.alpha.,12.alpha.,17.beta.)- |
| Alternate Name(s) | 12,17-Bis(acetyloxy)-3-hydroxyandrostan-7-yl acetate (7,12-diacetoxy-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl) acetate (7,12-diacetyloxy-10,13-dimethyl-3-oxidanyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl) ethanoate (7,12-diacetyloxy-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl) acetate Acetic acid (7,12-diacetoxy-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl) ester Acetic acid (7,12-diacetyloxy-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl) ester |
| CAS Registry Number | 64934-50-5 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C25H38O7 |
| InChI | InChI=1S/C25H38O7/c1-13(26)30-20-11-16-10-17(29)8-9-24(16,4)19-12-22(32-15(3)28)25(5)18(23(19)20)6-7-21(25)31-14(2)27/h16-23,29H,6-12H2,1-5H3 |
| InChIKey | KQVCGNQZEAYAMX-UHFFFAOYSA-N |
| Molecular Weight | 450.572 g/mol |
| SMILES | OC1CCC2(C(C1)CC(C1C2CC(C2(C1CCC2OC(=O)C)C)OC(=O)C)OC(=O)C)C |
| SPLASH | splash10-0a70-0090200000-51dbd237759e7547c862 |
| Source of Spectrum | O-13-407-3 |
| Wiley ID | 1387709 |