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(5R,8R,9S,10S,13R,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,4,5,6,7,8,9,11,12,16,17-dodecahydrocyclopenta[a]phenanthren-3-one

View entire compound with spectra: 1 MS (GC)

(5R,8R,9S,10S,13R,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,4,5,6,7,8,9,11,12,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
SpectraBase Compound ID 4TzwtwbdDVr
InChI InChI=1S/C27H44O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h12,18-20,22-23,25H,6-11,13-17H2,1-5H3/t19-,20-,22+,23-,25+,26+,27-/m1/s1
InChIKey PFPWRTCZSSLGAS-LLQHVLTKSA-N
Mol Weight 384.6 g/mol
Molecular Formula C27H44O
Exact Mass 384.339216 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G5CX2Zx1c4T
Name (5R,8R,9S,10S,13R,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,4,5,6,7,8,9,11,12,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
Alternate Name(s) (5R,8R,9S,10S,13R,17R)-17-[(1R)-1,5-dimethylhexyl]-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H44O
InChI InChI=1S/C27H44O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h12,18-20,22-23,25H,6-11,13-17H2,1-5H3/t19-,20-,22+,23-,25+,26+,27-/m1/s1
InChIKey PFPWRTCZSSLGAS-LLQHVLTKSA-N
Molecular Weight 384.648 g/mol
SMILES C1=2[C@@]([C@@]([C@@](CCCC(C)C)(C)[H])(CC2)[H])(CC[C@@]2([C@]3(CCC(C[C@]3(CC[C@@]12[H])[H])=O)C)[H])C
SPLASH splash10-00di-0090000000-b8cd882955ffaecf7b36
Source of Spectrum KC-0-1702-12
Wiley ID 831020