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10,17-DIHYDROXYESTRA-1,4-DIEN-3-ONE
SpectraBase Compound ID 6ppo0ZOPPtT
InChI InChI=1S/C18H24O3/c1-17-8-7-15-13(14(17)4-5-16(17)20)3-2-11-10-12(19)6-9-18(11,15)21/h6,9-10,13-16,20-21H,2-5,7-8H2,1H3/t13-,14-,15-,16?,17-,18?/m0/s1
InChIKey UIKDFTLKOKNUJP-QCOXZJTBSA-N
Mol Weight 288.39 g/mol
Molecular Formula C18H24O3
Exact Mass 288.172545 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 19J6xOL3eNr
Name 10,17-DIHYDROXYESTRA-1,4-DIEN-3-ONE
Copyright Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 288.172544630 u
Formula C18H24O3
InChI InChI=1S/C18H24O3/c1-17-8-7-15-13(14(17)4-5-16(17)20)3-2-11-10-12(19)6-9-18(11,15)21/h6,9-10,13-16,20-21H,2-5,7-8H2,1H3/t13-,14-,15-,16?,17-,18?/m0/s1
InChIKey UIKDFTLKOKNUJP-QCOXZJTBSA-N
Molecular Weight 288.387 g/mol
Nominal Mass 288 u
Number of Peaks 151
SMILES OC1[C@]2(CC[C@@]3(C4(C=CC(C=C4CC[C@]3([C@@]2(CC1)[H])[H])=O)O)[H])C
SPLASH splash10-00dm-6910000000-7ff2428547758550c9a1
Source File Reference LMCM-88653-463Q
Source of Spectrum Prof. D. Henneberg, MPI f. Kohlenforschung, Muelheim a.d.R., Germany
Synonyms 1,4-OESTRADIEN-3-ON, 10-EPSILON-17-BETA-DIHYDROXY- (1S,10S,11S,15S)-2,14-dihydroxy-15-methyltetracyclo[8.7.0.0(2,7).0(11,15)]heptadeca-3,6-dien-5-one
Wiley ID 8_36386