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3-Methoxy-14.beta.-1,3,5(10)-estratriene-15.alpha.,17.alpha.-diol
SpectraBase Compound ID EAw069m7N4o
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-VLUPQCQJSA-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 FL82nY8VJIt
Name 3-Methoxy-14.beta.-1,3,5(10)-estratriene-15.alpha.,17.alpha.-diol
CAS Registry Number 116949-11-2
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-VLUPQCQJSA-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 splash10-01q0-0941000000-59746227098dcd915efd
Source of Spectrum O-23-254-3
Synonyms Estra-1,3,5(10)-triene-15,17-diol, 3-methoxy-, (14.beta.,15.alpha.,17.beta.)- (14beta,15alpha,17beta)-3-methoxyestra-1,3,5(10)-triene-15,17-diol 3-Methoxy-14.beta.-1,3,5(10)-estratriene-15.alpha.,17.beta.-diol
Wiley ID 1304981