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(3S,8S,9S,10R,11R,13S,14S)-10,13-dimethyl-3,11-bis(oxidanyl)-1,2,3,4,7,8,9,11,12,14-decahydrocyclopenta[a]phenanthren-17-one

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(3S,8S,9S,10R,11R,13S,14S)-10,13-dimethyl-3,11-bis(oxidanyl)-1,2,3,4,7,8,9,11,12,14-decahydrocyclopenta[a]phenanthren-17-one
SpectraBase Compound ID KKyfa19ODEo
InChI InChI=1S/C19H26O3/c1-18-8-7-12(20)9-11(18)3-4-13-14-5-6-16(22)19(14,2)10-15(21)17(13)18/h3,5-6,12-15,17,20-21H,4,7-10H2,1-2H3/t12-,13-,14-,15+,17+,18-,19-/m0/s1
InChIKey UFVNIEVGFARYFR-UZIRSRSFSA-N
Mol Weight 302.41 g/mol
Molecular Formula C19H26O3
Exact Mass 302.188195 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JsznI37zT3m
Name (3S,8S,9S,10R,11R,13S,14S)-10,13-dimethyl-3,11-bis(oxidanyl)-1,2,3,4,7,8,9,11,12,14-decahydrocyclopenta[a]phenanthren-17-one
Alternate Name(s) (3S,8S,9S,10R,11R,13S,14S)-3,11-dihydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14-decahydrocyclopenta[a]phenanthren-17-one
CAS Registry Number 124469-34-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H26O3
InChI InChI=1S/C19H26O3/c1-18-8-7-12(20)9-11(18)3-4-13-14-5-6-16(22)19(14,2)10-15(21)17(13)18/h3,5-6,12-15,17,20-21H,4,7-10H2,1-2H3/t12-,13-,14-,15+,17+,18-,19-/m0/s1
InChIKey UFVNIEVGFARYFR-UZIRSRSFSA-N
Molecular Weight 302.414 g/mol
SMILES O[C@]1([C@@]2([C@]3(CC[C@@](CC3=CC[C@]2([C@]2([C@](C1)(C(C=C2)=O)C)[H])[H])(O)[H])C)[H])[H]
SPLASH splash10-001i-1191000000-12fa7cb71cdb95d4e26e
Source of Spectrum F-46-2296-0
Wiley ID 1304970