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Epiestradiol
SpectraBase Compound ID 56LGPn4bSDT
InChI InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17-,18+/m1/s1
InChIKey VOXZDWNPVJITMN-SFFUCWETSA-N
Mol Weight 272.39 g/mol
Molecular Formula C18H24O2
Exact Mass 272.17763 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ATZETheK85O
Name 3,17.ALPHA.-DIHYDROXY-ESTRA-1,3,5(10)-TRIENE
Copyright Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 272.177630011 u
Formula C18H24O2
InChI InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17-,18+/m1/s1
InChIKey VOXZDWNPVJITMN-SFFUCWETSA-N
Molecular Weight 272.388 g/mol
Nominal Mass 272 u
Number of Peaks 74
SMILES O[C@]1([C@]2(CC[C@@]3(c4ccc(cc4CC[C@]3([C@@]2(CC1)[H])[H])O)[H])C)[H]
SPLASH splash10-00di-6970000000-639e7286617e421ac193
Source File Reference LMCM-12346-876Q
Source of Spectrum Prof. Spiteller, University Bayreuth, Germany
Synonyms ESTRA-1,3,5(10)-TRIENE-3,17-DIOL (8R,9S,13S,14S,17R)-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene-3,17-diol
Wiley ID 4_399