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

*Links on SpectraBase are not permalinks.
5α-Androstan-3α,16α-diol-17-one
SpectraBase Compound ID Arm2xCllGUT
InChI InChI=1S/C19H30O3/c1-18-7-5-12(20)9-11(18)3-4-13-14(18)6-8-19(2)15(13)10-16(21)17(19)22/h11-16,20-21H,3-10H2,1-2H3/t11-,12+,13+,14-,15-,16+,18-,19-/m0/s1
InChIKey HLQYTKUIIJTNHH-LLIWRYSGSA-N
Mol Weight 306.45 g/mol
Molecular Formula C19H30O3
Exact Mass 306.219495 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 48ljlwgteT1
Name 5.ALPHA.-ANDROSTANE-3.ALPHA.,16.ALPHA.-DIOL-17-ONE
CAS Registry Number 14167-49-8
Copyright Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 306.219494823 u
Formula C19H30O3
InChI InChI=1S/C19H30O3/c1-18-7-5-12(20)9-11(18)3-4-13-14(18)6-8-19(2)15(13)10-16(21)17(19)22/h11-16,20-21H,3-10H2,1-2H3/t11-,12+,13+,14-,15-,16+,18-,19-/m0/s1
InChIKey HLQYTKUIIJTNHH-LLIWRYSGSA-N
Molecular Weight 306.446 g/mol
Nominal Mass 306 u
Number of Peaks 160
SMILES O[C@]1(C([C@]2(CC[C@@]3([C@]4(CC[C@](C[C@@]4(CC[C@]3([C@@]2(C1)[H])[H])[H])(O)[H])C)[H])C)=O)[H]
SPLASH splash10-0api-8982000000-14e9b68deca8137805ee
Source File Reference LMCM-56567-354L
Source of Spectrum Dr. Makin, London Hospital Medical College, UK
Synonyms 3,16-DIHYDROXYANDROSTAN-17-ONE (3R,5S,8R,9S,10S,13S,14S,16R)-3,16-dihydroxy-10,13-dimethyltetradecahydro-1H-cyclopenta[a]phenanthren-17(2H)-one
Wiley ID 4_2768