SpectraBase Spectrum ID |
B1fgNrzJAIa |
Name |
5.ALPHA.-ANDROSTANE-1.BETA.,3.BETA.-DIOL-17-ONE-1.BETA.,3.BETA.-DI-ACETATE |
Copyright |
Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved. |
Exact Mass |
390.240624190 u |
Formula |
C23H34O5 |
InChI |
InChI=1S/C23H34O5/c1-13(24)27-16-11-15-5-6-17-18-7-8-20(26)22(18,3)10-9-19(17)23(15,4)21(12-16)28-14(2)25/h15-19,21H,5-12H2,1-4H3/t15-,16+,17-,18-,19-,21+,22-,23-/m0/s1 |
InChIKey |
PNXGZGWWICDWCC-FMUDOKAKSA-N |
Molecular Weight |
390.520 g/mol |
Nominal Mass |
390 u |
Number of Peaks |
101 |
SMILES |
[C@]1(C[C@]([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])(OC(C)=O)[H] |
SPLASH |
splash10-05fr-3690000000-e7132ee63a08e64fcfb8 |
Source File Reference |
LMCM-31086-851S |
Source of Spectrum |
Dr. Makin, London Hospital Medical College, UK |
Synonyms |
1-(ACETYLOXY)-17-OXOANDROSTAN-3-YL ACETATE
(1R,3R,5S,8R,9S,10S,13S,14S)-10,13-dimethyl-17-oxohexadecahydro-1H-cyclopenta[a]phenanthrene-1,3-diyl diacetate |
Wiley ID |
4_2942 |