| SpectraBase Spectrum ID |
Ho7szmTVOdG |
| Name |
Methyl 17.beta.-hydroxy-4-methyl-4-oxo-3,4-seco-5.alpha.-androstan-3-oate |
| Alternate Name(s) |
Methyl 3-[(3S,3aS,5aS,6R,7S,9aR,9bS)-7-acetyl-3-hydroxy-3a,6-dimethyldodecahydro-1H-cyclopenta[a]naphthalen-6-yl]propanoate |
| CAS Registry Number |
110346-49-1 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H34O4 |
| InChI |
InChI=1S/C21H34O4/c1-13(22)15-6-5-14-16-7-8-18(23)21(16,3)11-9-17(14)20(15,2)12-10-19(24)25-4/h14-18,23H,5-12H2,1-4H3/t14-,15+,16-,17-,18-,20-,21-/m0/s1 |
| InChIKey |
SESXAEBUZUGOOS-XVYLQWLCSA-N |
| Molecular Weight |
350.499 g/mol |
| SMILES |
O[C@@]1([C@]2(CC[C@@]3([C@]([C@](CC[C@]3([C@@]2(CC1)[H])[H])(C(=O)C)[H])(CCC(=O)OC)C)[H])C)[H] |
| SPLASH |
splash10-0159-0009000000-7184802da0482a0fbeee |
| Source of Spectrum |
KC-1986-1525-7 |
| Wiley ID |
1342152 |
