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

View entire compound with spectra: 1 MS (GC)

(5R,8S,9S,10S,13R,14S,17R)-1,10,13-trimethyl-17-[(2R)-6-methylheptan-2-yl]-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
SpectraBase Compound ID 3KzZYHXY1hB
InChI InChI=1S/C28H46O/c1-18(2)8-7-9-19(3)24-12-13-25-23-11-10-21-17-22(29)16-20(4)28(21,6)26(23)14-15-27(24,25)5/h16,18-19,21,23-26H,7-15,17H2,1-6H3/t19-,21-,23+,24-,25+,26+,27-,28+/m1/s1
InChIKey HLVUNQFOGSRFBB-QPAVFUJLSA-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 AePcRTtiCyb
Name (5R,8S,9S,10S,13R,14S,17R)-1,10,13-trimethyl-17-[(2R)-6-methylheptan-2-yl]-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
Alternate Name(s) (5R,8S,9S,10S,13R,14S,17R)-17-[(1R)-1,5-dimethylhexyl]-1,10,13-trimethyl-4,5,6,7,8,9,11,12,14,15,16,17-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)24-12-13-25-23-11-10-21-17-22(29)16-20(4)28(21,6)26(23)14-15-27(24,25)5/h16,18-19,21,23-26H,7-15,17H2,1-6H3/t19-,21-,23+,24-,25+,26+,27-,28+/m1/s1
InChIKey HLVUNQFOGSRFBB-QPAVFUJLSA-N
Molecular Weight 398.675 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(=O)C=C1C)[H])[H])C
SPLASH splash10-000j-2902000000-2b088fe92fbf317dc473
Source of Spectrum KC-1992-3108-10
Wiley ID 777377