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1,4a-Dimethyl-9,10-dioxo-1,2,3,4,4a,9,10,10a-octahydrophenanthrene-1-carboxylic acid, methyl ester
SpectraBase Compound ID Cj3IVE1xd5q
InChI InChI=1S/C18H20O4/c1-17-9-6-10-18(2,16(21)22-3)15(17)14(20)13(19)11-7-4-5-8-12(11)17/h4-5,7-8,15H,6,9-10H2,1-3H3
InChIKey XQLKPDDGGMEWNN-UHFFFAOYSA-N
Mol Weight 300.35 g/mol
Molecular Formula C18H20O4
Exact Mass 300.136159 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EojOvZ3HK05
Name 1,4a-Dimethyl-9,10-dioxo-1,2,3,4,4a,9,10,10a-octahydrophenanthrene-1-carboxylic acid, methyl ester
CAS Registry Number 35334-52-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H20O4
InChI InChI=1S/C18H20O4/c1-17-9-6-10-18(2,16(21)22-3)15(17)14(20)13(19)11-7-4-5-8-12(11)17/h4-5,7-8,15H,6,9-10H2,1-3H3
InChIKey XQLKPDDGGMEWNN-UHFFFAOYSA-N
Molecular Weight 300.354 g/mol
SMILES C(OC)(=O)C1(C2C(C(c3ccccc3C2(CCC1)C)=O)=O)C
SPLASH splash10-0gvk-1940000000-9dd60df425951cf8d7d7
Synonyms 1,4a-dimethyl-9,10-dioxo-2,3,4,10a-tetrahydrophenanthrene-1-carboxylic acid methyl ester 9,10-diketo-1,4a-dimethyl-2,3,4,10a-tetrahydrophenanthrene-1-carboxylic acid methyl ester Methyl 1,4a-dimethyl-9,10-bis(oxidanylidene)-2,3,4,10a-tetrahydrophenanthrene-1-carboxylate Methyl 1,4a-dimethyl-9,10-dioxo-2,3,4,10a-tetrahydrophenanthrene-1-carboxylate Methyl 6,7-dioxopodocarpa-8(14),9(11),12-trien-15-oate
Wiley ID 1484339