SpectraBase Spectrum ID |
5XXGJjQoFYy |
Name |
5.ALPHA.-ANDROSTANE-3.BETA.,17.BETA.-DIOL-11-ONE-3.BETA.,17.BETA.-DI-ACETATE |
CAS Registry Number |
2236-34-2 |
Copyright |
Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved. |
Exact Mass |
390.240624190 u |
Formula |
C23H34O5 |
InChI |
InChI=1S/C23H34O5/c1-13(24)27-16-9-10-22(3)15(11-16)5-6-17-18-7-8-20(28-14(2)25)23(18,4)12-19(26)21(17)22/h15-18,20-21H,5-12H2,1-4H3/t15-,16-,17-,18-,20-,21+,22-,23-/m0/s1 |
InChIKey |
HEWMFRQFEUGQOK-RUINFSKGSA-N |
Molecular Weight |
390.520 g/mol |
Nominal Mass |
390 u |
Number of Peaks |
138 |
SMILES |
[C@]1(CC[C@@]2([C@]3(C(C[C@@]4([C@](CC[C@]4([C@@]3(CC[C@]2(C1)[H])[H])[H])(OC(C)=O)[H])C)=O)[H])C)(OC(C)=O)[H] |
SPLASH |
splash10-001i-3689000000-ad262a5e161e246cf1a8 |
Source File Reference |
LMCM-51735-604K |
Source of Spectrum |
Dr. Makin, London Hospital Medical College, UK |
Synonyms |
17-(ACETYLOXY)-11-OXOANDROSTAN-3-YL ACETATE
(3S,5S,8S,9S,10S,13S,14S,17S)-10,13-dimethyl-11-oxohexadecahydro-1H-cyclopenta[a]phenanthrene-3,17-diyl diacetate |
Wiley ID |
4_2734 |