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1(2H)-Phenanthrenone, 10-(acetyloxy)-3,4,9,10-tetrahydro-9-hydroxy-9-methyl-, trans-
SpectraBase Compound ID D0cktc5JTHQ
InChI InChI=1S/C17H18O4/c1-10(18)21-16-15-12(7-5-9-14(15)19)11-6-3-4-8-13(11)17(16,2)20/h3-4,6,8,16,20H,5,7,9H2,1-2H3/t16-,17+/m0/s1
InChIKey JALHQNGMSROJAL-DLBZAZTESA-N
Mol Weight 286.33 g/mol
Molecular Formula C17H18O4
Exact Mass 286.120509 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9QnJkS6KAli
Name 1(2H)-Phenanthrenone, 10-(acetyloxy)-3,4,9,10-tetrahydro-9-hydroxy-9-methyl-, trans-
Alternate Name(s) (9S,10R)-10-hydroxy-10-methyl-8-oxo-5,6,7,8,9,10-hexahydro-9-phenanthrenyl acetate trans-10-acetoxy-9-hydroxy-9-methyl-3,4,9,10-tetrahydropenanthren-1(2H)-one
CAS Registry Number 69902-52-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H18O4
InChI InChI=1S/C17H18O4/c1-10(18)21-16-15-12(7-5-9-14(15)19)11-6-3-4-8-13(11)17(16,2)20/h3-4,6,8,16,20H,5,7,9H2,1-2H3/t16-,17+/m0/s1
InChIKey JALHQNGMSROJAL-DLBZAZTESA-N
Molecular Weight 286.327 g/mol
SMILES O[C@]1([C@](C2=C(c3ccccc13)CCCC2=O)(OC(=O)C)[H])C
SPLASH splash10-004i-0090000000-bea4260a0588fd9d10ee
Source of Spectrum K-112-537-0
Wiley ID 1289987