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(1R,5R,8S,9S,10S,13R,14S,17R)-1,10,13-trimethyl-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)

(1R,5R,8S,9S,10S,13R,14S,17R)-1,10,13-trimethyl-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 3GBLlWsjRHV
InChI InChI=1S/C28H48O/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/h18-21,23-26H,7-17H2,1-6H3/t19-,20-,21-,23+,24-,25+,26+,27-,28+/m1/s1
InChIKey ISADDWKEOLGOGP-HCNFZKCESA-N
Mol Weight 400.7 g/mol
Molecular Formula C28H48O
Exact Mass 400.370516 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GokFPgn3poM
Name (1R,5R,8S,9S,10S,13R,14S,17R)-1,10,13-trimethyl-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) (1R,5R,8S,9S,10S,13R,14S,17R)-17-[(1R)-1,5-dimethylhexyl]-1,10,13-trimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H48O
InChI InChI=1S/C28H48O/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/h18-21,23-26H,7-17H2,1-6H3/t19-,20-,21-,23+,24-,25+,26+,27-,28+/m1/s1
InChIKey ISADDWKEOLGOGP-HCNFZKCESA-N
Molecular Weight 400.691 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(C)[H])=O)[H])[H])C
SPLASH splash10-0aos-6916500000-d3ba839b57e38def1be6
Source of Spectrum KC-1992-3108-12
Wiley ID 777379