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(8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylhept-5-en-2-yl]-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one

View entire compound with spectra: 1 MS (GC)

(8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylhept-5-en-2-yl]-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
SpectraBase Compound ID 6J5StMWeD2b
InChI InChI=1S/C27H42O/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/h7,17,19,22-25H,6,8-16H2,1-5H3/t19-,22+,23-,24+,25+,26+,27-/m1/s1
InChIKey ROLSKNVQSMYGNB-GYKMGIIDSA-N
Mol Weight 382.6 g/mol
Molecular Formula C27H42O
Exact Mass 382.323566 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4qnRZ1u8Vf7
Name (8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylhept-5-en-2-yl]-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
Alternate Name(s) (8S,9S,10R,13R,14S,17R)-17-[(1R)-1,5-dimethylhex-4-enyl]-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
CAS Registry Number 4561-73-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H42O
InChI InChI=1S/C27H42O/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/h7,17,19,22-25H,6,8-16H2,1-5H3/t19-,22+,23-,24+,25+,26+,27-/m1/s1
InChIKey ROLSKNVQSMYGNB-GYKMGIIDSA-N
Molecular Weight 382.632 g/mol
SMILES [C@@]12([C@]([C@@]3(CCC=4[C@@]([C@]3(CC2)[H])(CCC(=O)C4)C)[H])(CC[C@@]1([C@@](CCC=C(C)C)(C)[H])[H])[H])C
SPLASH splash10-0601-0951000000-b8492791a66bbc72a1ed
Source of Spectrum KO-3-82-1
Wiley ID 1360893