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Estra-1,3,5(10)-triene-15,17-diol, 3-methoxy-, (14.beta.,15.beta.,17.alpha.)-
SpectraBase Compound ID JaXlGoQtgDr
InChI InChI=1S/C19H26O3/c1-19-8-7-14-13-6-4-12(22-2)9-11(13)3-5-15(14)18(19)16(20)10-17(19)21/h4,6,9,14-18,20-21H,3,5,7-8,10H2,1-2H3/t14-,15-,16-,17-,18+,19-/m1/s1
InChIKey WORKJXCCTVWOQJ-VEAXJEOVSA-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 I9McTbrAHqB
Name Estra-1,3,5(10)-triene-15,17-diol, 3-methoxy-, (14.beta.,15.beta.,17.alpha.)-
CAS Registry Number 116949-12-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H26O3
InChI InChI=1S/C19H26O3/c1-19-8-7-14-13-6-4-12(22-2)9-11(13)3-5-15(14)18(19)16(20)10-17(19)21/h4,6,9,14-18,20-21H,3,5,7-8,10H2,1-2H3/t14-,15-,16-,17-,18+,19-/m1/s1
InChIKey WORKJXCCTVWOQJ-VEAXJEOVSA-N
Molecular Weight 302.414 g/mol
SMILES O[C@]1([C@]2([C@@]([C@@](C1)(O)[H])(CC[C@@]1(c3c(CC[C@@]21[H])cc(cc3)OC)[H])C)[H])[H]
SPLASH splash10-0uki-0915000000-78f013fa2933d3b5166a
Source of Spectrum O-23-254-3
Synonyms (14beta,15beta,17alpha)-3-methoxyestra-1,3,5(10)-triene-15,17-diol 3-Methoxy-14.beta.-1,3,5(10)-estratriene-15.beta.,17.alpha.-diol
Wiley ID 1304982