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

View entire compound with spectra: 1 MS (GC)

(9R,10R,13R,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,9,11,12,15,16,17-octahydrocyclopenta[a]phenanthren-3-one
SpectraBase Compound ID 6zc2ldcOZXH
InChI InChI=1S/C27H40O/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/h9-10,17-19,23,25H,6-8,11-16H2,1-5H3/t19-,23-,25+,26+,27-/m1/s1
InChIKey ZNCJQVPLDMEMBW-NSSNTOQXSA-N
Mol Weight 380.6 g/mol
Molecular Formula C27H40O
Exact Mass 380.307916 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B2hjdkpzy9Q
Name (9R,10R,13R,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,9,11,12,15,16,17-octahydrocyclopenta[a]phenanthren-3-one
Alternate Name(s) (9R,10R,13R,17R)-17-[(1R)-1,5-dimethylhexyl]-10,13-dimethyl-1,2,9,11,12,15,16,17-octahydrocyclopenta[a]phenanthren-3-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H40O
InChI InChI=1S/C27H40O/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/h9-10,17-19,23,25H,6-8,11-16H2,1-5H3/t19-,23-,25+,26+,27-/m1/s1
InChIKey ZNCJQVPLDMEMBW-NSSNTOQXSA-N
Molecular Weight 380.616 g/mol
SMILES C12=C3[C@]([C@]4(CCC(C=C4C=C3)=O)C)([H])CC[C@@]2([C@@]([C@@](CCCC(C)C)(C)[H])(CC1)[H])C
SPLASH splash10-0159-0098000000-e34ffcb24dc65af0493a
Source of Spectrum F-47-7075-8
Wiley ID 1360016