| SpectraBase Spectrum ID |
AoDoOT0hyqB |
| Name |
5.ALPHA.-ANDROSTAN-3.ALPHA.-OL-17-ONE(3.ALPHA.-ACETATE) |
| CAS Registry Number |
1164-95-0 |
| Copyright |
Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
332.235144887 u |
| Formula |
C21H32O3 |
| InChI |
InChI=1S/C21H32O3/c1-13(22)24-15-8-10-20(2)14(12-15)4-5-16-17-6-7-19(23)21(17,3)11-9-18(16)20/h14-18H,4-12H2,1-3H3/t14-,15+,16-,17-,18-,20-,21-/m0/s1 |
| InChIKey |
FDCINQSOYQUNKB-XVYLQWLCSA-N |
| Molecular Weight |
332.484 g/mol |
| Nominal Mass |
332 u |
| Number of Peaks |
108 |
| SMILES |
[C@@]1(CC[C@@]2([C@]3(CC[C@@]4(C(CC[C@]4([C@@]3(CC[C@]2(C1)[H])[H])[H])=O)C)[H])C)(OC(C)=O)[H] |
| SPLASH |
splash10-00xr-3390000000-a174dc3f17d0dcab4253 |
| Source File Reference |
LMCM-65587-974W |
| Source of Spectrum |
Dr. Makin, London Hospital Medical College, UK |
| Synonyms |
17-OXOANDROSTAN-3-YL ACETATE
(3R,5S,8R,9S,10S,13S,14S)-10,13-dimethyl-17-oxohexadecahydro-1H-cyclopenta[a]phenanthren-3-yl acetate |
| Wiley ID |
4_1233 |
