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1H-Benz[e]inden-1-one, 3a,4,5,9b-tetrahydro-9b-hydroxy-7-methoxy-3a-methyl-, (3aR-cis)-
SpectraBase Compound ID B8y4OUcyLue
InChI InChI=1S/C15H16O3/c1-14-7-5-10-9-11(18-2)3-4-12(10)15(14,17)13(16)6-8-14/h3-4,6,8-9,17H,5,7H2,1-2H3/t14-,15-/m1/s1
InChIKey SEBPFGUTHTUXSR-HUUCEWRRSA-N
Mol Weight 244.29 g/mol
Molecular Formula C15H16O3
Exact Mass 244.109944 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AySQuo6R5vl
Name 1H-Benz[e]inden-1-one, 3a,4,5,9b-tetrahydro-9b-hydroxy-7-methoxy-3a-methyl-, (3aR-cis)-
Alternate Name(s) (3aR,9bR)-9b-hydroxy-7-methoxy-3a-methyl-3a,4,5,9b-tetrahydro-1H-cyclopenta[a]naphthalen-1-one 14.beta.-hydroxy-5-methoxy-de-a-oestra-5,7,9,16-tetraen-15-one
CAS Registry Number 81852-26-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H16O3
InChI InChI=1S/C15H16O3/c1-14-7-5-10-9-11(18-2)3-4-12(10)15(14,17)13(16)6-8-14/h3-4,6,8-9,17H,5,7H2,1-2H3/t14-,15-/m1/s1
InChIKey SEBPFGUTHTUXSR-HUUCEWRRSA-N
Molecular Weight 244.290 g/mol
SMILES O[C@@]12c3c(cc(cc3)OC)CC[C@@]1(C=CC2=O)C
SPLASH splash10-014j-0690000000-897bc084de628e5d7d9e
Source of Spectrum KC-1982-662-0
Wiley ID 1247293