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(8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,3,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-6-one

View entire compound with spectra: 2 MS (GC)

(8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,3,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-6-one
SpectraBase Compound ID 4BwkqkNpiQI
InChI InChI=1S/C27H44O/c1-18(2)9-8-10-19(3)21-12-13-22-20-17-25(28)24-11-6-7-15-26(24,4)23(20)14-16-27(21,22)5/h11,18-23H,6-10,12-17H2,1-5H3/t19-,20+,21-,22+,23+,26-,27-/m1/s1
InChIKey FMYMXBRJEWJNNX-VHHOZFFRSA-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 ehXNcORcUr
Name (8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,3,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-6-one
CAS Registry Number 13095-36-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H44O
InChI InChI=1S/C27H44O/c1-18(2)9-8-10-19(3)21-12-13-22-20-17-25(28)24-11-6-7-15-26(24,4)23(20)14-16-27(21,22)5/h11,18-23H,6-10,12-17H2,1-5H3/t19-,20+,21-,22+,23+,26-,27-/m1/s1
InChIKey FMYMXBRJEWJNNX-VHHOZFFRSA-N
Molecular Weight 384.648 g/mol
SMILES [C@@]12([C@]([C@@]3(CC(=O)C=4[C@]([C@]3(CC2)[H])(C)CCCC4)[H])(CC[C@@]1([C@@](CCCC(C)C)(C)[H])[H])[H])C
SPLASH splash10-00lr-0009000000-9eae3077cc2692bf83a0
Source of Spectrum Y5-56-704-6
Synonyms (8S,9S,10R,13R,14S,17R)-17-[(1R)-1,5-dimethylhexyl]-10,13-dimethyl-1,2,3,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-6-one Cholest-4-en-6-one
Wiley ID 879345