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7.alpha.-(9-Hydroxynonyl)estra-1,3,5(10)-triene-3,16.beta.,17.beta.-triol
SpectraBase Compound ID 7AJD71CZKkl
InChI InChI=1S/C27H42O4/c1-27-13-12-22-21-11-10-20(29)16-19(21)15-18(9-7-5-3-2-4-6-8-14-28)25(22)23(27)17-24(30)26(27)31/h10-11,16,18,22-26,28-31H,2-9,12-15,17H2,1H3/t18-,22-,23+,24+,25-,26+,27+/m1/s1
InChIKey WASRTTLZKABNFZ-JFTXAMKCSA-N
Mol Weight 430.6 g/mol
Molecular Formula C27H42O4
Exact Mass 430.30831 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1Pr6sJNoIa
Name 7.alpha.-(9-Hydroxynonyl)estra-1,3,5(10)-triene-3,16.beta.,17.beta.-triol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H42O4
InChI InChI=1S/C27H42O4/c1-27-13-12-22-21-11-10-20(29)16-19(21)15-18(9-7-5-3-2-4-6-8-14-28)25(22)23(27)17-24(30)26(27)31/h10-11,16,18,22-26,28-31H,2-9,12-15,17H2,1H3/t18-,22-,23+,24+,25-,26+,27+/m1/s1
InChIKey WASRTTLZKABNFZ-JFTXAMKCSA-N
Molecular Weight 430.629 g/mol
SMILES O[C@]1([C@](C[C@]2([C@]3([C@@](c4ccc(cc4C[C@]3(CCCCCCCCCO)[H])O)(CC[C@]12C)[H])[H])[H])(O)[H])[H]
SPLASH splash10-053r-0501900000-f7b1d0ef5da53015418f
Source of Spectrum K-2002-2278-10
Synonyms (7alpha,16beta,17beta)-7-(9-hydroxynonyl)estra-1,3,5(10)-triene-3,16,17-triol
Wiley ID 1613185