SpectraBase Spectrum ID |
A9ti59pdrMS |
Name |
5.ALPHA.-ANDROSTAN-11.ALPHA.-OL(11.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)23-18-13-20(2)11-6-8-17(20)16-10-9-15-7-4-5-12-21(15,3)19(16)18/h15-19H,4-13H2,1-3H3/t15-,16+,17+,18-,19-,20+,21+/m1/s1 |
InChIKey |
JGUIPEZCCTYKJT-OUZKAEIWSA-N |
Molecular Weight |
318.501 g/mol |
Nominal Mass |
318 u |
Number of Peaks |
64 |
SMILES |
C1CC[C@@]2([C@]3([C@@](C[C@@]4(CCC[C@]4([C@@]3(CC[C@]2(C1)[H])[H])[H])C)(OC(C)=O)[H])[H])C |
SPLASH |
splash10-0a4l-3490000000-09c57e631873a12c9d20 |
Source File Reference |
LMCM-44035-231T |
Source of Spectrum |
Dr. Makin, London Hospital Medical College, UK |
Synonyms |
ANDROSTAN-11-YL ACETATE
(5R,8S,9S,10S,11R,13S,14S)-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-11-yl acetate |
Wiley ID |
4_1582 |