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(7S,8S,9S,10R,13R,14S,17R)-17-[(1R)-1,5-dimethylhexyl]-7,10,13-trimethyl-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)

(7S,8S,9S,10R,13R,14S,17R)-17-[(1R)-1,5-dimethylhexyl]-7,10,13-trimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
SpectraBase Compound ID LFAL9mgQUYI
InChI InChI=1S/C28H46O/c1-18(2)8-7-9-19(3)23-10-11-24-26-20(4)16-21-17-22(29)12-14-27(21,5)25(26)13-15-28(23,24)6/h17-20,23-26H,7-16H2,1-6H3/t19-,20+,23-,24+,25+,26+,27+,28-/m1/s1
InChIKey MZANIZZWZOMIRD-KTORLQJYSA-N
Mol Weight 398.7 g/mol
Molecular Formula C28H46O
Exact Mass 398.354866 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KsINo1A23wq
Name (7S,8S,9S,10R,13R,14S,17R)-17-[(1R)-1,5-dimethylhexyl]-7,10,13-trimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H46O
InChI InChI=1S/C28H46O/c1-18(2)8-7-9-19(3)23-10-11-24-26-20(4)16-21-17-22(29)12-14-27(21,5)25(26)13-15-28(23,24)6/h17-20,23-26H,7-16H2,1-6H3/t19-,20+,23-,24+,25+,26+,27+,28-/m1/s1
InChIKey MZANIZZWZOMIRD-KTORLQJYSA-N
Molecular Weight 398.675 g/mol
SMILES [C@@]12([C@]([C@@]3([C@](CC=4[C@@]([C@]3(CC2)[H])(CCC(=O)C4)C)(C)[H])[H])(CC[C@@]1([C@@](CCCC(C)C)(C)[H])[H])[H])C
SPLASH splash10-0002-0029000000-842e2c36f77ca365d85e
Source of Spectrum QC-9-1632-6
Synonyms (7S,8S,9S,10R,13R,14S,17R)-7,10,13-trimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
Wiley ID 870498