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

View entire compound with spectra: 1 MS (GC)

(1S,5R,8S,9S,10S,13R,14S,17R)-1-methoxy-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one
SpectraBase Compound ID JGpvArJOqeH
InChI InChI=1S/C28H48O2/c1-18(2)8-7-9-19(3)23-12-13-24-22-11-10-20-16-21(29)17-26(30-6)28(20,5)25(22)14-15-27(23,24)4/h18-20,22-26H,7-17H2,1-6H3/t19-,20-,22+,23-,24+,25+,26+,27-,28+/m1/s1
InChIKey ZBCKSCITMSBHBC-AFQQCIBUSA-N
Mol Weight 416.7 g/mol
Molecular Formula C28H48O2
Exact Mass 416.365431 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FoQiFHr4Zf2
Name (1S,5R,8S,9S,10S,13R,14S,17R)-1-methoxy-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one
Alternate Name(s) (1S,5R,8S,9S,10S,13R,14S,17R)-17-[(1R)-1,5-dimethylhexyl]-1-methoxy-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one
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Formula C28H48O2
InChI InChI=1S/C28H48O2/c1-18(2)8-7-9-19(3)23-12-13-24-22-11-10-20-16-21(29)17-26(30-6)28(20,5)25(22)14-15-27(23,24)4/h18-20,22-26H,7-17H2,1-6H3/t19-,20-,22+,23-,24+,25+,26+,27-,28+/m1/s1
InChIKey ZBCKSCITMSBHBC-AFQQCIBUSA-N
Molecular Weight 416.690 g/mol
SMILES [C@@]12([C@@]3([C@@]([C@@]4(CC[C@@]([C@]4(CC3)C)([C@@](CCCC(C)C)(C)[H])[H])[H])([H])CC[C@@]2(CC(C[C@@]1(OC)[H])=O)[H])[H])C
SPLASH splash10-0w30-3902100000-a2c97b17b3145f8df22c
Source of Spectrum KC-1992-3109-17
Wiley ID 777373