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2(3H)-Phenanthrenone, 4,4a,9,10-tetrahydro-3-hydroxy-7-methoxy-1,4a-dimethyl-, trans-(.+-.)-
SpectraBase Compound ID Jgz379hSuIp
InChI InChI=1S/C17H20O3/c1-10-13-6-4-11-8-12(20-3)5-7-14(11)17(13,2)9-15(18)16(10)19/h5,7-8,15,18H,4,6,9H2,1-3H3/t15-,17+/m1/s1
InChIKey XPOADUAWPGMFTC-WBVHZDCISA-N
Mol Weight 272.34 g/mol
Molecular Formula C17H20O3
Exact Mass 272.141245 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LDUDeSQHR5w
Name 2(3H)-Phenanthrenone, 4,4a,9,10-tetrahydro-3-hydroxy-7-methoxy-1,4a-dimethyl-, trans-(.+-.)-
Alternate Name(s) (3R,4aS)-3-hydroxy-7-methoxy-1,4a-dimethyl-4,4a,9,10-tetrahydro-2(3H)-phenanthrenone
CAS Registry Number 113998-19-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H20O3
InChI InChI=1S/C17H20O3/c1-10-13-6-4-11-8-12(20-3)5-7-14(11)17(13,2)9-15(18)16(10)19/h5,7-8,15,18H,4,6,9H2,1-3H3/t15-,17+/m1/s1
InChIKey XPOADUAWPGMFTC-WBVHZDCISA-N
Molecular Weight 272.344 g/mol
SMILES O[C@]1(C(=O)C(=C2[C@@](c3c(CC2)cc(cc3)OC)(C1)C)C)[H]
SPLASH splash10-0a6r-0290000000-79ae0da16a90e41907e8
Source of Spectrum J-53-2595-6
Wiley ID 1276448