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

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(2R,3S,5S,8R,9S,10S,13S,14S)-2,10,13-trimethyl-3-oxidanyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one
SpectraBase Compound ID 5PnG4CNRF8F
InChI InChI=1S/C20H32O2/c1-12-11-20(3)13(10-17(12)21)4-5-14-15-6-7-18(22)19(15,2)9-8-16(14)20/h12-17,21H,4-11H2,1-3H3/t12-,13+,14+,15+,16+,17+,19+,20+/m1/s1
InChIKey FDGQIVOIHOIMNK-URBDGJAYSA-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 9O0lUjBWKKX
Name (2R,3S,5S,8R,9S,10S,13S,14S)-2,10,13-trimethyl-3-oxidanyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one
Alternate Name(s) (2R,3S,5S,8R,9S,10S,13S,14S)-3-hydroxy-2,10,13-trimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H32O2
InChI InChI=1S/C20H32O2/c1-12-11-20(3)13(10-17(12)21)4-5-14-15-6-7-18(22)19(15,2)9-8-16(14)20/h12-17,21H,4-11H2,1-3H3/t12-,13+,14+,15+,16+,17+,19+,20+/m1/s1
InChIKey FDGQIVOIHOIMNK-URBDGJAYSA-N
Molecular Weight 304.474 g/mol
SMILES O[C@]1(C[C@]2([C@@]([C@@]3([C@@]([C@@]4(CCC([C@]4(CC3)C)=O)[H])([H])CC2)[H])(C[C@]1(C)[H])C)[H])[H]
SPLASH splash10-0kml-2976000000-6001af428ed47ea4e1c7
Source of Spectrum O-31-309-0
Wiley ID 1306960