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3,17beta-Dihydroxy-17alpha-methyl-Estra-1,3,5(10)-triene
SpectraBase Compound ID 7Ak2BOt0QTk
InChI InChI=1S/C19H26O2/c1-18-9-7-15-14-6-4-13(20)11-12(14)3-5-16(15)17(18)8-10-19(18,2)21/h4,6,11,15-17,20-21H,3,5,7-10H2,1-2H3/t15?,16-,17+,18+,19+/m1/s1
InChIKey JXQJDYXWHSVOEF-XTXURFAFSA-N
Mol Weight 286.41 g/mol
Molecular Formula C19H26O2
Exact Mass 286.19328 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9MN3MSQw1MO
Name 3,17beta-Dihydroxy-17alpha-methyl-Estra-1,3,5(10)-triene
Alternate Name(s) (8R,13S,14S,17S)-13,17-dimethyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene-3,17-diol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H26O2
InChI InChI=1S/C19H26O2/c1-18-9-7-15-14-6-4-13(20)11-12(14)3-5-16(15)17(18)8-10-19(18,2)21/h4,6,11,15-17,20-21H,3,5,7-10H2,1-2H3/t15?,16-,17+,18+,19+/m1/s1
InChIKey JXQJDYXWHSVOEF-XTXURFAFSA-N
Literature Reference DOI 10.1002/cber.19711040807
Molecular Weight 286.415 g/mol
SMILES Oc1cc2CC[C@]3([C@@]4(CC[C@@]([C@]4(CCC3c2cc1)C)(O)C)[H])[H]
SPLASH splash10-01ri-0290000000-46dbb647846479bea0a0
Source of Spectrum K-104-2401-1d
Wiley ID 1793429