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Estra-1,3,5(10)-trien-17-ol, 3-(phenylmethoxy)-16-(phenylmethyl)-, (16.alpha.,17.beta.)-
SpectraBase Compound ID HeoKedKOt1h
InChI InChI=1S/C32H36O2/c1-32-17-16-28-27-15-13-26(34-21-23-10-6-3-7-11-23)19-24(27)12-14-29(28)30(32)20-25(31(32)33)18-22-8-4-2-5-9-22/h2-11,13,15,19,25,28-31,33H,12,14,16-18,20-21H2,1H3/t25-,28-,29-,30+,31+,32+/m1/s1
InChIKey YEPPXFVCEQOGAV-XEHWIINKSA-N
Mol Weight 452.6 g/mol
Molecular Formula C32H36O2
Exact Mass 452.27153 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HsLDXzqXHZw
Name Estra-1,3,5(10)-trien-17-ol, 3-(phenylmethoxy)-16-(phenylmethyl)-, (16.alpha.,17.beta.)-
CAS Registry Number 106139-64-4
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C32H36O2
InChI InChI=1S/C32H36O2/c1-32-17-16-28-27-15-13-26(34-21-23-10-6-3-7-11-23)19-24(27)12-14-29(28)30(32)20-25(31(32)33)18-22-8-4-2-5-9-22/h2-11,13,15,19,25,28-31,33H,12,14,16-18,20-21H2,1H3/t25-,28-,29-,30+,31+,32+/m1/s1
InChIKey YEPPXFVCEQOGAV-XEHWIINKSA-N
Molecular Weight 452.638 g/mol
SMILES O[C@]1([C@](Cc2ccccc2)(C[C@@]2([C@@]1(CC[C@@]1(c3c(cc(cc3)OCc3ccccc3)CC[C@@]21[H])[H])C)[H])[H])[H]
SPLASH splash10-0006-9000200000-c2186ff156d62fa9fc75
Source of Spectrum J-52-250-7
Synonyms (16alpha,17beta)-16-benzyl-3-(benzyloxy)estra-1,3,5(10)-trien-17-ol 16.alpha.-benzyl-3-(benzyloxy)estra-1,3,5(10)-trien-17.beta.-ol
Wiley ID 1388431