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ESTRA-1,3,5(10),6-TETRAENE-3-OL-17-ONE
SpectraBase Compound ID GhBrKytNEos
InChI InChI=1S/C18H20O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h2-5,10,14-16,19H,6-9H2,1H3
InChIKey WTRRIQCGCGCMQA-UHFFFAOYSA-N
Mol Weight 268.36 g/mol
Molecular Formula C18H20O2
Exact Mass 268.14633 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 88odsoeCqzV
Name Estra-1,3,5(10),6-tetraen-17-one, 3-hydroxy-
CAS Registry Number 2208-12-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H20O2
InChI InChI=1S/C18H20O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h2-5,10,14-16,19H,6-9H2,1H3
InChIKey WTRRIQCGCGCMQA-UHFFFAOYSA-N
Molecular Weight 268.356 g/mol
SMILES Oc1cc2c(C3C(C4C(C)(CC3)C(CC4)=O)C=C2)cc1
SPLASH splash10-0aou-5930000000-570f8f3b4e949aa6b30b
Source of Spectrum DB-0-19-3
Synonyms .delta.6,7-Estrone .delta.6-Estrone 13-Methyl-3-oxidanyl-9,11,12,14,15,16-hexahydro-8H-cyclopenta[a]phenanthren-17-one 3-HETO 3-Hydroxy-13-methyl-9,11,12,14,15,16-hexahydro-8H-cyclopenta[a]phenanthren-17-one 3-Hydroxyestra-1,3,5(10),6-tetraen-17-one 6,7-Didehydroestrone 6-Dehydroestrone Dehydro-estrone delta6,7-Estrone delta6-Estrone NSC 48999
Wiley ID 38817