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

*Links on SpectraBase are not permalinks.
B-Homo-A-norcholest-3(5)-en-6-one, 3-(ethylthio)-
SpectraBase Compound ID JQu4QKBxBuc
InChI InChI=1S/C29H48OS/c1-7-31-26-16-18-29(6)24-15-17-28(5)22(20(4)10-8-9-19(2)3)12-13-23(28)21(24)11-14-25(30)27(26)29/h19-24H,7-18H2,1-6H3/t20-,21+,22-,23?,24?,28-,29-/m1/s1
InChIKey NXPHBACPTPXTBM-XFRJYRFFSA-N
Mol Weight 444.8 g/mol
Molecular Formula C29H48OS
Exact Mass 444.342587 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 FyUIZHajo52
Name B-Homo-A-norcholest-3(5)-en-6-one, 3-(ethylthio)-
CAS Registry Number 82423-59-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H48OS
InChI InChI=1S/C29H48OS/c1-7-31-26-16-18-29(6)24-15-17-28(5)22(20(4)10-8-9-19(2)3)12-13-23(28)21(24)11-14-25(30)27(26)29/h19-24H,7-18H2,1-6H3/t20-,21+,22-,23?,24?,28-,29-/m1/s1
InChIKey NXPHBACPTPXTBM-XFRJYRFFSA-N
Molecular Weight 444.762 g/mol
SMILES [C@@]12(C(=C(SCC)CC2)C(CC[C@]2(C3CC[C@@]([C@]3(CCC12)C)([C@@](CCCC(C)C)(C)[H])[H])[H])=O)C
SPLASH splash10-014i-0203900000-82bd53d6583b991cebb7
Source of Spectrum KC-1982-937-0
Synonyms (3aR,5aR,6R,8bS)-6-[(1R)-1,5-dimethylhexyl]-1-(ethylsulfanyl)-3a,5a-dimethyl-2,3,3a,3b,4,5,5a,6,7,8,8a,8b,9,10-tetradecahydro-11H-indeno[5,4-e]azulen-11-one 11H-indeno[5,4-e]azulene, b-homo-a-norcholest-3(5)-en-6-one deriv. 3-Ethylthio-a-nor-b-homocholest-3-en-6-one
Wiley ID 1386155