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Estra-1,3,5(10),9(11)-tetraen-17-one, 3-hydroxy-
SpectraBase Compound ID 7i2hh204wKw
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/h3,5,8,10,15-16,19H,2,4,6-7,9H2,1H3
InChIKey SONVSJYKHAWLHA-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 C8fV9Xq3yte
Name Estra-1,3,5(10),9(11)-tetraen-17-one, 3-hydroxy-
CAS Registry Number 1089-80-1
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/h3,5,8,10,15-16,19H,2,4,6-7,9H2,1H3
InChIKey SONVSJYKHAWLHA-UHFFFAOYSA-N
Molecular Weight 268.356 g/mol
SMILES Oc1ccc2c(c1)CCC1C3CCC(C3(C)CC=C21)=O
SPLASH splash10-014i-1390000000-ecf7ab85037097b5f326
Source of Spectrum SD-1981-0-0
Synonyms 3-Hydroxyestra-1,3,5(10),9(11)-tetraen-17-one .delta.9(11)-Estrone 13-Methyl-3-oxidanyl-7,8,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-17-one 3-Hydroxy-13-methyl-7,8,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-17-one 9-Dehydroestrone
Wiley ID 1272648