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(1R,4aS,10aR)-7-isopropyl-1,4a-dimethyl-9-oxo-1,2,3,4,4a,9,10,10a-octahydro-phenanthrene-1-carboxylic acid methyl ester
SpectraBase Compound ID 3WGxVcaZQeo
InChI InChI=1S/C21H28O3/c1-13(2)14-7-8-16-15(11-14)17(22)12-18-20(16,3)9-6-10-21(18,4)19(23)24-5/h7-8,11,13,18H,6,9-10,12H2,1-5H3
InChIKey URPBIQPJABGDJD-UHFFFAOYSA-N
Mol Weight 328.45 g/mol
Molecular Formula C21H28O3
Exact Mass 328.203845 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Lo1gdHt0XwI
Name (1R,4aS,10aR)-7-isopropyl-1,4a-dimethyl-9-oxo-1,2,3,4,4a,9,10,10a-octahydro-phenanthrene-1-carboxylic acid methyl ester
CAS Registry Number 17751-36-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H28O3
InChI InChI=1S/C21H28O3/c1-13(2)14-7-8-16-15(11-14)17(22)12-18-20(16,3)9-6-10-21(18,4)19(23)24-5/h7-8,11,13,18H,6,9-10,12H2,1-5H3
InChIKey URPBIQPJABGDJD-UHFFFAOYSA-N
Molecular Weight 328.452 g/mol
SMILES CC12C(C(C(OC)=O)(C)CCC2)CC(=O)c2c1ccc(c2)C(C)C
SPLASH splash10-0ufr-4391000000-7e7496e8fe6ef6b43db5
Source of Spectrum Va-0-0-0
Synonyms 1,4a-dimethyl-9-oxo-7-propan-2-yl-3,4,10,10a-tetrahydro-2H-phenanthrene-1-carboxylic acid methyl ester 7-isopropyl-9-keto-1,4a-dimethyl-3,4,10,10a-tetrahydro-2H-phenanthrene-1-carboxylic acid methyl ester 7-Oxodehydroabietic acid, methyl ester Methyl 1,4a-dimethyl-9-oxidanylidene-7-propan-2-yl-3,4,10,10a-tetrahydro-2H-phenanthrene-1-carboxylate Methyl 1,4a-dimethyl-9-oxo-7-propan-2-yl-3,4,10,10a-tetrahydro-2H-phenanthrene-1-carboxylate Methyl 7-isopropyl-1,4a-dimethyl-9-oxo-3,4,10,10a-tetrahydro-2H-phenanthrene-1-carboxylate Methyl 7-oxoabieta-8,11,13-trien-18-oate Methyl 7-oxoabieta-9(11),8(14),12-trien-18-oate NSC 2966
Wiley ID 743136