SpectraBase Spectrum ID |
1feCqozfogp |
Name |
5.BETA.-ANDROSTAN-3.BETA.-OL-17-ONE(3.BETA.-ACETATE) |
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+/m1/s1 |
InChIKey |
FDCINQSOYQUNKB-PQCYQFCNSA-N |
Molecular Weight |
332.484 g/mol |
Nominal Mass |
332 u |
Number of Peaks |
112 |
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-2390000000-5cf3563c77036dcc6a22 |
Source File Reference |
LMCM-11076-361E |
Source of Spectrum |
Dr. Makin, London Hospital Medical College, UK |
Synonyms |
17-OXOANDROSTAN-3-YL ACETATE
(3S,5R,8R,9S,10S,13S,14S)-10,13-dimethyl-17-oxohexadecahydro-1H-cyclopenta[a]phenanthren-3-yl acetate |
Wiley ID |
4_1082 |