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(8R,9R,13S,14S,17S)-13-Methyl-hexadecahydro-1H-cyclopenta[a]phenanthrene-3,17-diol
SpectraBase Compound ID DGkEm36fOvM
InChI InChI=1S/C18H30O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h11-17,19-20H,2-10H2,1H3/t11?,12?,13?,14-,15-,16+,17+,18+/m1/s1
InChIKey QNKATSBSLLYTMH-GWJZXVDSSA-N
Mol Weight 278.44 g/mol
Molecular Formula C18H30O2
Exact Mass 278.22458 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G4f22pJrjio
Name (8R,9R,13S,14S,17S)-13-Methyl-hexadecahydro-1H-cyclopenta[a]phenanthrene-3,17-diol
Alternate Name(s) Hydrogenated estrone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H30O2
InChI InChI=1S/C18H30O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h11-17,19-20H,2-10H2,1H3/t11?,12?,13?,14-,15-,16+,17+,18+/m1/s1
InChIKey QNKATSBSLLYTMH-GWJZXVDSSA-N
Molecular Weight 278.436 g/mol
SMILES OC1CCC2C(CC[C@]3([C@]4([C@@]([C@](CC4)(O)[H])(CC[C@]23[H])C)[H])[H])C1
SPLASH splash10-0ikc-0090000000-5472287cc4b5a5c7e78e
Source of Spectrum QE-15-6961-table8/12
Wiley ID 1692908