For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
ANDROST-5-ENE-3-BETA-17-ALPHA-DIOL-DIACETATE
SpectraBase Compound ID 1ICleYlz8iP
InChI InChI=1S/C23H34O4/c1-14(24)26-17-9-11-22(3)16(13-17)5-6-18-19-7-8-21(27-15(2)25)23(19,4)12-10-20(18)22/h5,17-21H,6-13H2,1-4H3/t17-,18-,19-,20-,21+,22-,23-/m0/s1
InChIKey QXKRUGDXPWHXHL-MHYDGWTMSA-N
Mol Weight 374.5 g/mol
Molecular Formula C23H34O4
Exact Mass 374.24571 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID FHnBTfI95g0
Name ANDROST-5-ENE-3.BETA.,17.ALPHA.-DIOL(3.BETA.,17.ALPHA.-DI-ACETATE)
Copyright Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 374.245709571 u
Formula C23H34O4
InChI InChI=1S/C23H34O4/c1-14(24)26-17-9-11-22(3)16(13-17)5-6-18-19-7-8-21(27-15(2)25)23(19,4)12-10-20(18)22/h5,17-21H,6-13H2,1-4H3/t17-,18-,19-,20-,21+,22-,23-/m0/s1
InChIKey QXKRUGDXPWHXHL-MHYDGWTMSA-N
Molecular Weight 374.521 g/mol
Nominal Mass 374 u
Number of Peaks 95
SMILES [C@]1(CC[C@@]2([C@]3(CC[C@@]4([C@@](CC[C@]4([C@@]3(CC=C2C1)[H])[H])(OC(C)=O)[H])C)[H])C)(OC(C)=O)[H]
SPLASH splash10-03dr-3976000000-7ac0f0d9600ebacf979a
Source File Reference LMCM-75956-416H
Source of Spectrum Dr. Makin, London Hospital Medical College, UK
Synonyms 17-(ACETYLOXY)ANDROST-5-EN-3-YL ACETATE (3S,8R,9S,10R,13S,14S,17R)-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,17-diyl diacetate
Wiley ID 4_2135