For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
17β-Estradiol
SpectraBase Compound ID 4hlPfMhVOrc
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-ZBRFXRBCSA-N
Mol Weight 272.39 g/mol
Molecular Formula C18H24O2
Exact Mass 272.17763 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 3m8z0bd4e1Y
Name ESTRA-1,3,5(10)-TRIENE-3,17.BETA.-DIOL
CAS Registry Number 50-28-2
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-ZBRFXRBCSA-N
Molecular Weight 272.388 g/mol
Nominal Mass 272 u
Number of Peaks 61
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-2790000000-f78df9c96a3376c4e051
Source File Reference LMCM-90739-034R
Source of Spectrum Dr. Makin, London Hospital Medical College, UK
Synonyms ESTRA-1,3,5(10)-TRIENE-3,17-DIOL (17.BETA.)- 3,17.BETA.-DIHYDROXY-ESTRA-1,3,5(10)-TRIENE ESTRA-1,3,5(10)-TRIENE-3,17-DIOL ESTRADIOL DIHYDROFOLLIKULIN (8R,9S,13S,14S,17S)-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene-3,17-diol
Wiley ID 4_1478