SpectraBase Spectrum ID |
IaBRfRike2A |
Name |
5.ALPHA.-ANDROSTAN-3.ALPHA.-OL(3.ALPHA.-ACETATE) |
Copyright |
Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved. |
Exact Mass |
318.255880333 u |
Formula |
C21H34O2 |
InChI |
InChI=1S/C21H34O2/c1-14(22)23-16-8-12-21(3)15(13-16)6-7-17-18-5-4-10-20(18,2)11-9-19(17)21/h15-19H,4-13H2,1-3H3/t15-,16+,17-,18-,19-,20-,21-/m0/s1 |
InChIKey |
WGHVRNVVQRMWRJ-TVWVXWENSA-N |
Molecular Weight |
318.501 g/mol |
Nominal Mass |
318 u |
Number of Peaks |
78 |
SMILES |
[C@@]1(CC[C@@]2([C@]3(CC[C@@]4(CCC[C@]4([C@@]3(CC[C@]2(C1)[H])[H])[H])C)[H])C)(OC(C)=O)[H] |
SPLASH |
splash10-0a4l-3490000000-94e84cea0ff23979aee3 |
Source File Reference |
LMCM-90758-827Z |
Source of Spectrum |
Dr. Makin, London Hospital Medical College, UK |
Synonyms |
ANDROSTAN-3-YL ACETATE
(3R,5S,8S,9S,10S,13S,14S)-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-3-yl acetate |
Wiley ID |
4_31 |