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

*Links on SpectraBase are not permalinks.
ANDROST-4-ENE-17.ALPHA.-OL-3-ONE(3-O-METHYLOXIME)
SpectraBase Compound ID BFtd3SYMm3I
InChI InChI=1S/C20H31NO2/c1-19-10-8-14(21-23-3)12-13(19)4-5-15-16-6-7-18(22)20(16,2)11-9-17(15)19/h12,15-18,22H,4-11H2,1-3H3/b21-14+/t15-,16-,17-,18+,19-,20-/m0/s1
InChIKey OCGJMJCBENBXGY-GKKXINQRSA-N
Mol Weight 317.47 g/mol
Molecular Formula C20H31NO2
Exact Mass 317.235479 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 IntQyDtGmBi
Name ANDROST-4-ENE-17.ALPHA.-OL-3-ONE(3-O-METHYLOXIME)
Copyright Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 317.235479240 u
Formula C20H31NO2
InChI InChI=1S/C20H31NO2/c1-19-10-8-14(21-23-3)12-13(19)4-5-15-16-6-7-18(22)20(16,2)11-9-17(15)19/h12,15-18,22H,4-11H2,1-3H3/b21-14+/t15-,16-,17-,18+,19-,20-/m0/s1
InChIKey OCGJMJCBENBXGY-GKKXINQRSA-N
Molecular Weight 317.473 g/mol
Nominal Mass 317 u
Number of Peaks 221
SMILES O[C@@]1(CC[C@]2([C@@]3(CCC4=C\C(CC[C@@]4([C@]3(CC[C@]12C)[H])C)=N\OC)[H])[H])[H]
SPLASH splash10-014r-3942000000-91d7e4e9867756741efc
Source File Reference LMCM-61483-827F
Source of Spectrum Dr. Makin, London Hospital Medical College, UK
Synonyms 17-HYDROXYANDROST-4-EN-3-ONE O-METHYLOXIME (1R,3aS,3bR,9aR,9bS,11aS,E)-17-hydroxy-10,13-dimethyl-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3(2H)-one O-methyl oxime
Wiley ID 4_1012