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

View entire compound with spectra: 1 MS (GC)

(3R,5S,8S,9R,10S,13R,14R)-3-methoxy-9,13-dimethyl-1,2,3,4,5,6,7,8,10,11,12,14,16,17-tetradecahydrocyclopenta[a]phenanthren-15-one
SpectraBase Compound ID A0EL0qK4ITS
InChI InChI=1S/C20H32O2/c1-19-9-8-17(21)18(19)16-6-4-13-12-14(22-3)5-7-15(13)20(16,2)11-10-19/h13-16,18H,4-12H2,1-3H3/t13-,14+,15-,16-,18-,19-,20+/m0/s1
InChIKey ODBDFQVYIFVHOY-MHAIDTMBSA-N
Mol Weight 304.5 g/mol
Molecular Formula C20H32O2
Exact Mass 304.24023 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID E2mxarti642
Name (3R,5S,8S,9R,10S,13R,14R)-3-methoxy-9,13-dimethyl-1,2,3,4,5,6,7,8,10,11,12,14,16,17-tetradecahydrocyclopenta[a]phenanthren-15-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H32O2
InChI InChI=1S/C20H32O2/c1-19-9-8-17(21)18(19)16-6-4-13-12-14(22-3)5-7-15(13)20(16,2)11-10-19/h13-16,18H,4-12H2,1-3H3/t13-,14+,15-,16-,18-,19-,20+/m0/s1
InChIKey ODBDFQVYIFVHOY-MHAIDTMBSA-N
Molecular Weight 304.474 g/mol
SMILES [C@@]12([C@]([C@]3(C(CC[C@]3(CC2)C)=O)[H])(CC[C@@]2([C@@]1(CC[C@@](OC)(C2)[H])[H])[H])[H])C
SPLASH splash10-00uu-9330000000-359237ce365ced3a4723
Source of Spectrum C5-2004-632-21
Wiley ID 1616700