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

View entire compound with spectra: 1 MS (GC)

(3R,5S,8S,9S,10S,13R,14S,17R)-17-[(1R)-1,5-dimethylhexyl]-3-methoxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-1-one
SpectraBase Compound ID 1v079zRIyWF
InChI InChI=1S/C28H48O2/c1-18(2)8-7-9-19(3)23-12-13-24-22-11-10-20-16-21(30-6)17-26(29)28(20,5)25(22)14-15-27(23,24)4/h18-25H,7-17H2,1-6H3/t19-,20+,21-,22+,23-,24+,25+,27-,28+/m1/s1
InChIKey WZPVRLPULHRNNY-CDNUHCTRSA-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 Lu3wwmbLpyl
Name (3R,5S,8S,9S,10S,13R,14S,17R)-17-[(1R)-1,5-dimethylhexyl]-3-methoxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H48O2
InChI InChI=1S/C28H48O2/c1-18(2)8-7-9-19(3)23-12-13-24-22-11-10-20-16-21(30-6)17-26(29)28(20,5)25(22)14-15-27(23,24)4/h18-25H,7-17H2,1-6H3/t19-,20+,21-,22+,23-,24+,25+,27-,28+/m1/s1
InChIKey WZPVRLPULHRNNY-CDNUHCTRSA-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(C[C@@](OC)(CC1=O)[H])[H])[H])C
SPLASH splash10-0006-9101100000-6e1849d195fe4d0f34af
Source of Spectrum KC-0-3246-35
Synonyms (3R,5S,8S,9S,10S,13R,14S,17R)-3-methoxy-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-1-one
Wiley ID 782660