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

*Links on SpectraBase are not permalinks.
3-OXOANDROSTAN-17-YL ACETATE
SpectraBase Compound ID AmrAUkPMvbO
InChI InChI=1S/C21H32O3/c1-13(22)24-19-7-6-17-16-5-4-14-12-15(23)8-10-20(14,2)18(16)9-11-21(17,19)3/h14,16-19H,4-12H2,1-3H3/t14-,16+,17+,18+,19-,20+,21+/m1/s1
InChIKey ILCTUFVQFCIIDS-UWSHXLKQSA-N
Mol Weight 332.5 g/mol
Molecular Formula C21H32O3
Exact Mass 332.235145 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 CBRm80bcJfG
Name 5.BETA.-ANDROSTAN-17.ALPHA.-OL-3-ONE(17.ALPHA.-ACETATE)
Copyright Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 332.235144887 u
Formula C21H32O3
InChI InChI=1S/C21H32O3/c1-13(22)24-19-7-6-17-16-5-4-14-12-15(23)8-10-20(14,2)18(16)9-11-21(17,19)3/h14,16-19H,4-12H2,1-3H3/t14-,16+,17+,18+,19-,20+,21+/m1/s1
InChIKey ILCTUFVQFCIIDS-UWSHXLKQSA-N
Molecular Weight 332.484 g/mol
Nominal Mass 332 u
Number of Peaks 102
SMILES C1(CC[C@@]2([C@]3(CC[C@@]4([C@@](CC[C@]4([C@@]3(CC[C@@]2(C1)[H])[H])[H])(OC(C)=O)[H])C)[H])C)=O
SPLASH splash10-0fk9-3490000000-90334f5f074057a0cf56
Source File Reference LMCM-44760-790M
Source of Spectrum Dr. Makin, London Hospital Medical College, UK
Synonyms 3-OXOANDROSTAN-17-YL ACETATE (5R,8R,9S,10S,13S,14S,17R)-10,13-dimethyl-3-oxohexadecahydro-1H-cyclopenta[a]phenanthren-17-yl acetate
Wiley ID 4_1064