| SpectraBase Spectrum ID |
3xkYZQfWikZ |
| Name |
5.ALPHA.-ANDROSTANE-17.BETA.-CARBOXYLIC ACID-3.BETA.-OL-17.BETA.-METHYL ESTER |
| Copyright |
Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
334.250794952 u |
| Formula |
C21H34O3 |
| InChI |
InChI=1S/C21H34O3/c1-20-10-8-14(22)12-13(20)4-5-15-16-6-7-18(19(23)24-3)21(16,2)11-9-17(15)20/h13-18,22H,4-12H2,1-3H3/t13-,14-,15-,16-,17-,18+,20-,21-/m0/s1 |
| InChIKey |
NTIDOCUQWIFRTK-VTBMCCKRSA-N |
| Molecular Weight |
334.500 g/mol |
| Nominal Mass |
334 u |
| Number of Peaks |
160 |
| SMILES |
O[C@]1(CC[C@@]2([C@]3(CC[C@@]4([C@](CC[C@]4([C@@]3(CC[C@]2(C1)[H])[H])[H])(C(=O)OC)[H])C)[H])C)[H] |
| SPLASH |
splash10-00lr-9654000000-25f95e0c75752484afe4 |
| Source File Reference |
LMCM-23755-461N |
| Source of Spectrum |
Dr. Makin, London Hospital Medical College, UK |
| Synonyms |
METHYL 3-HYDROXYANDROSTANE-17-CARBOXYLATE
(3S,5S,8R,9S,10S,13S,14S,17S)-methyl 3-hydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthrene-17-carboxylate |
| Wiley ID |
4_1631 |
