| SpectraBase Spectrum ID |
BzzXwij8anL |
| Name |
Androstan-7-one, 3-(benzoyloxy)-, (3.beta.,5.alpha.)- |
| CAS Registry Number |
84600-49-7 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C26H34O3 |
| InChI |
InChI=1S/C26H34O3/c1-25-12-6-9-20(25)23-21(11-13-25)26(2)14-10-19(15-18(26)16-22(23)27)29-24(28)17-7-4-3-5-8-17/h3-5,7-8,18-21,23H,6,9-16H2,1-2H3/t18-,19+,20?,21?,23?,25+,26+/m1/s1 |
| InChIKey |
NQJQKIKMOXVRPG-FJJXQCQPSA-N |
| Molecular Weight |
394.555 g/mol |
| SMILES |
[C@@]12(C3C(C4CCC[C@]4(CC3)C)C(C[C@]2(C[C@@](OC(=O)c2ccccc2)(CC1)[H])[H])=O)C |
| SPLASH |
splash10-056r-0911000000-455a7df4cc59295da1f6 |
| Source of Spectrum |
B-35-2126-0 |
| Synonyms |
(3beta,5alpha)-7-oxoandrostan-3-yl benzoate
7-Oxo-5.alpha.-androstan-3.beta.-yl benzoate |
| Wiley ID |
1366846 |
