| SpectraBase Spectrum ID |
LCSb3sD1sK0 |
| Name |
3-.alpha.-(Chloromethyl)-,17.beta.-hydroxy-5-aza-A-nor-B-homoandrostan-6-one Benzoate |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C26H34ClNO3 |
| InChI |
InChI=1S/C26H34ClNO3/c1-25-14-13-21-19(8-11-23(29)28-18(16-27)12-15-26(21,28)2)20(25)9-10-22(25)31-24(30)17-6-4-3-5-7-17/h3-7,18-22H,8-16H2,1-2H3/t18-,19-,20-,21-,22-,25-,26+/m0/s1 |
| InChIKey |
FMLKFTPXOJETJQ-JZRTWBLVSA-N |
| Molecular Weight |
444.015 g/mol |
| SMILES |
[C@]12(N(C(CC[C@]3([C@@]4(CC[C@@]([C@]4(CC[C@]23[H])C)(OC(=O)c2ccccc2)[H])[H])[H])=O)[C@](CCl)(CC1)[H])C |
| SPLASH |
splash10-0a4i-0921600000-5552d2ac0ce85cda2133 |
| Source of Spectrum |
J-57-4119-21 |
| Synonyms |
(1S,3aS,3bS,8S,10aR,10bS,12aS)-8-(chloromethyl)-10a,12a-dimethyl-6-oxohexadecahydroindeno[5,4-c]pyrrolo[1,2-a]azepin-1-yl benzoate |
| Wiley ID |
1385763 |
