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3,17beta-Dihydroxy-Estra-1,3,5(10),9(11)-tetraene
SpectraBase Compound ID 6midOFQrLnI
InChI InChI=1S/C18H22O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,8,10,15-17,19-20H,2,4,6-7,9H2,1H3/t15-,16+,17+,18+/m1/s1
InChIKey FABGTKBXHAEVKL-OWSLCNJRSA-N
Mol Weight 270.37 g/mol
Molecular Formula C18H22O2
Exact Mass 270.16198 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6kpzLpPJlAe
Name 3,17beta-Dihydroxy-Estra-1,3,5(10),9(11)-tetraene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H22O2
InChI InChI=1S/C18H22O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,8,10,15-17,19-20H,2,4,6-7,9H2,1H3/t15-,16+,17+,18+/m1/s1
InChIKey FABGTKBXHAEVKL-OWSLCNJRSA-N
Literature Reference DOI 10.1002/cber.19711040807
Molecular Weight 270.372 g/mol
SMILES Oc1cc2CC[C@]3([C@@]4(CC[C@@]([C@]4(CC=C3c2cc1)C)(O)[H])[H])[H]
SPLASH splash10-00di-0790000000-e4a855fdbe55d8619e5e
Source of Spectrum K-104-2398-2c
Synonyms (8S,13S,14S,17S)-13-methyl-7,8,12,13,14,15,16,17-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol
Wiley ID 1793434