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(8S,9S,10S,13S,14S)-10-(chloromethyl)-13-methyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-3,17-dione
SpectraBase Compound ID 77rsNr5HAcr
InChI InChI=1S/C19H25ClO2/c1-18-8-7-16-14(15(18)4-5-17(18)22)3-2-12-10-13(21)6-9-19(12,16)11-20/h10,14-16H,2-9,11H2,1H3/t14-,15-,16-,18-,19+/m0/s1
InChIKey WHGUVOOFOVRJRJ-BGJMDTOESA-N
Mol Weight 320.86 g/mol
Molecular Formula C19H25ClO2
Exact Mass 320.154308 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DncocVTS0HM
Name (8S,9S,10S,13S,14S)-10-(chloromethyl)-13-methyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-3,17-dione
Alternate Name(s) (8S,9S,10S,13S,14S)-10-(chloromethyl)-13-methyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-3,17-quinone
CAS Registry Number 5884-76-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H25ClO2
InChI InChI=1S/C19H25ClO2/c1-18-8-7-16-14(15(18)4-5-17(18)22)3-2-12-10-13(21)6-9-19(12,16)11-20/h10,14-16H,2-9,11H2,1H3/t14-,15-,16-,18-,19+/m0/s1
InChIKey WHGUVOOFOVRJRJ-BGJMDTOESA-N
Molecular Weight 320.860 g/mol
SMILES [C@@]12(C(=CC(CC2)=O)CC[C@]2([C@@]3(CCC([C@]3(CC[C@]12[H])C)=O)[H])[H])CCl
SPLASH splash10-00di-0069000000-29ee14e0bc98fd038017
Source of Spectrum KC-1989-1654-10
Wiley ID 1320240