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

View entire compound with spectra: 1 MS (GC)

(2R,5R,8S,9S,10R,13R,14S,17R)-17-[(1R)-1,5-dimethylhexyl]-2-methoxy-10,13-dimethyl-1,2,3,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-4-one
SpectraBase Compound ID Btq8vt4jAU3
InChI InChI=1S/C28H48O2/c1-18(2)8-7-9-19(3)22-12-13-23-21-10-11-25-26(29)16-20(30-6)17-28(25,5)24(21)14-15-27(22,23)4/h18-25H,7-17H2,1-6H3/t19-,20+,21+,22-,23+,24+,25+,27-,28-/m1/s1
InChIKey ZFFOHIDFGCESSS-BXWZAOEASA-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 5l4r2MvnQxf
Name (2R,5R,8S,9S,10R,13R,14S,17R)-17-[(1R)-1,5-dimethylhexyl]-2-methoxy-10,13-dimethyl-1,2,3,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-4-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)22-12-13-23-21-10-11-25-26(29)16-20(30-6)17-28(25,5)24(21)14-15-27(22,23)4/h18-25H,7-17H2,1-6H3/t19-,20+,21+,22-,23+,24+,25+,27-,28-/m1/s1
InChIKey ZFFOHIDFGCESSS-BXWZAOEASA-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(=O)C[C@@](C1)(OC)[H])[H])[H])C
SPLASH splash10-00l6-9013400000-c31a66801af3916e937f
Source of Spectrum KC-0-3248-46
Synonyms (2R,5R,8S,9S,10R,13R,14S,17R)-2-methoxy-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,3,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-4-one
Wiley ID 782647