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(3S,5S,8R,9R,10S,13R,14S,17R)-13-methyl-17-[(2R)-6-methylheptan-2-yl]-1,2,3,4,5,6,7,8,9,10,11,12,14,15,16,17-hexadecahydrocyclopenta[a]phenanthren-3-ol

View entire compound with spectra: 1 MS (GC)

(3S,5S,8R,9R,10S,13R,14S,17R)-13-methyl-17-[(2R)-6-methylheptan-2-yl]-1,2,3,4,5,6,7,8,9,10,11,12,14,15,16,17-hexadecahydrocyclopenta[a]phenanthren-3-ol
SpectraBase Compound ID ByDMrWQz7ov
InChI InChI=1S/C26H46O/c1-17(2)6-5-7-18(3)24-12-13-25-23-10-8-19-16-20(27)9-11-21(19)22(23)14-15-26(24,25)4/h17-25,27H,5-16H2,1-4H3/t18-,19+,20+,21+,22-,23-,24-,25+,26-/m1/s1
InChIKey YPUSVPPKDFWEHB-PDCPANKYSA-N
Mol Weight 374.7 g/mol
Molecular Formula C26H46O
Exact Mass 374.354866 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FDFVMrnAaHc
Name (3S,5S,8R,9R,10S,13R,14S,17R)-13-methyl-17-[(2R)-6-methylheptan-2-yl]-1,2,3,4,5,6,7,8,9,10,11,12,14,15,16,17-hexadecahydrocyclopenta[a]phenanthren-3-ol
CAS Registry Number 56453-12-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H46O
InChI InChI=1S/C26H46O/c1-17(2)6-5-7-18(3)24-12-13-25-23-10-8-19-16-20(27)9-11-21(19)22(23)14-15-26(24,25)4/h17-25,27H,5-16H2,1-4H3/t18-,19+,20+,21+,22-,23-,24-,25+,26-/m1/s1
InChIKey YPUSVPPKDFWEHB-PDCPANKYSA-N
Molecular Weight 374.653 g/mol
SMILES O[C@]1(CC[C@@]2([C@]3(CC[C@]4([C@]([C@@]3(CC[C@]2(C1)[H])[H])(CC[C@@]4([C@@](CCCC(C)C)(C)[H])[H])[H])C)[H])[H])[H]
SPLASH splash10-0uka-0097000000-2ff0cb56c812927c06d0
Source of Spectrum KC-1990-2203-20
Synonyms (3S,5S,8R,9R,10S,13R,14S,17R)-17-[(1R)-1,5-dimethylhexyl]-13-methyl-1,2,3,4,5,6,7,8,9,10,11,12,14,15,16,17-hexadecahydrocyclopenta[a]phenanthren-3-ol 19-Norcholestanol
Wiley ID 1357004