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(1S,4aS,10aR)-6-methoxy-1,4a-dimethyl-9-oxo-7-propan-2-yl-3,4,10,10a-tetrahydro-2H-phenanthrene-1-carboxylic acid methyl ester
SpectraBase Compound ID ELpI4fzaMw5
InChI InChI=1S/C22H30O4/c1-13(2)14-10-15-16(11-18(14)25-5)21(3)8-7-9-22(4,20(24)26-6)19(21)12-17(15)23/h10-11,13,19H,7-9,12H2,1-6H3/t19-,21-,22+/m1/s1
InChIKey LLVBBOXSQXMTII-FCEUIQTBSA-N
Mol Weight 358.48 g/mol
Molecular Formula C22H30O4
Exact Mass 358.214409 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HcP0utTNg0i
Name (1S,4aS,10aR)-6-methoxy-1,4a-dimethyl-9-oxo-7-propan-2-yl-3,4,10,10a-tetrahydro-2H-phenanthrene-1-carboxylic acid methyl ester
Alternate Name(s) (1S,4aS,10aR)-7-isopropyl-9-keto-6-methoxy-1,4a-dimethyl-3,4,10,10a-tetrahydro-2H-phenanthrene-1-carboxylic acid methyl ester Methyl (1S,4aS,10aR)-6-methoxy-1,4a-dimethyl-9-oxidanylidene-7-propan-2-yl-3,4,10,10a-tetrahydro-2H-phenanthrene-1-carboxylate Methyl (1S,4aS,10aR)-6-methoxy-1,4a-dimethyl-9-oxo-7-propan-2-yl-3,4,10,10a-tetrahydro-2H-phenanthrene-1-carboxylate Methyl (1S,4aS,10aR)-7-isopropyl-6-methoxy-1,4a-dimethyl-9-oxo-3,4,10,10a-tetrahydro-2H-phenanthrene-1-carboxylate
CAS Registry Number 906-97-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H30O4
InChI InChI=1S/C22H30O4/c1-13(2)14-10-15-16(11-18(14)25-5)21(3)8-7-9-22(4,20(24)26-6)19(21)12-17(15)23/h10-11,13,19H,7-9,12H2,1-6H3/t19-,21-,22+/m1/s1
InChIKey LLVBBOXSQXMTII-FCEUIQTBSA-N
Molecular Weight 358.478 g/mol
SMILES c12[C@@]3([C@@]([C@](C(=O)OC)(C)CCC3)([H])CC(c1cc(c(c2)OC)C(C)C)=O)C
SPLASH splash10-0536-0039000000-c701bdb7ea5151ce8154
Source of Spectrum B-43-889-4
Wiley ID 1347329