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

*Links on SpectraBase are not permalinks.
17-(1,5-Dimethylhexyl)estra-1,3,5(10)-trien-6-one
SpectraBase Compound ID 4k5O5XEIGeE
InChI InChI=1S/C26H38O/c1-17(2)8-7-9-18(3)23-12-13-24-22-16-25(27)21-11-6-5-10-19(21)20(22)14-15-26(23,24)4/h5-6,10-11,17-18,20,22-24H,7-9,12-16H2,1-4H3
InChIKey QJZGDOIINMVMDU-UHFFFAOYSA-N
Mol Weight 366.6 g/mol
Molecular Formula C26H38O
Exact Mass 366.292266 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 2QV6PPGK7E
Name 17-(1,5-Dimethylhexyl)estra-1,3,5(10)-trien-6-one
CAS Registry Number 19454-79-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H38O
InChI InChI=1S/C26H38O/c1-17(2)8-7-9-18(3)23-12-13-24-22-16-25(27)21-11-6-5-10-19(21)20(22)14-15-26(23,24)4/h5-6,10-11,17-18,20,22-24H,7-9,12-16H2,1-4H3
InChIKey QJZGDOIINMVMDU-UHFFFAOYSA-N
Molecular Weight 366.589 g/mol
SMILES CC(C)CCCC(C)C1CCC2C3CC(c4ccccc4C3CCC12C)=O
SPLASH splash10-03xr-0496000000-23786ed64d1aebff2c82
Source of Spectrum W5-1989-37874-27662
Synonyms 13-Methyl-17-(6-methylheptan-2-yl)-8,9,11,12,14,15,16,17-octahydro-7H-cyclopenta[a]phenanthren-6-one 17-(1,5-dimethylhexyl)-13-methyl-8,9,11,12,14,15,16,17-octahydro-7H-cyclopenta[a]phenanthren-6-one 19-Norcholesta-1,3,5(10)-trien-6-one
Wiley ID 1352335