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(2-Benzoyl-7-hydroxy-2,4b-dimethyl-1,2,3,4,4a,4b,5,6,7,8,10,10a-dodecahydrophenanthren-1-yl)acetic acid, methyl ester
SpectraBase Compound ID D83IjrFPKRu
InChI InChI=1S/C26H34O4/c1-25-13-11-19(27)15-18(25)9-10-20-21(25)12-14-26(2,22(20)16-23(28)30-3)24(29)17-7-5-4-6-8-17/h4-9,19-22,27H,10-16H2,1-3H3
InChIKey RQSLTZQKYUEWTJ-UHFFFAOYSA-N
Mol Weight 410.6 g/mol
Molecular Formula C26H34O4
Exact Mass 410.24571 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3eQCd7AImpS
Name (2-Benzoyl-7-hydroxy-2,4b-dimethyl-1,2,3,4,4a,4b,5,6,7,8,10,10a-dodecahydrophenanthren-1-yl)acetic acid, methyl ester
Alternate Name(s) 2-(2-benzoyl-7-hydroxy-2,4b-dimethyl-1,3,4,4a,5,6,7,8,10,10a-decahydrophenanthren-1-yl)acetic acid methyl ester Methyl (2-benzoyl-7-hydroxy-2,4b-dimethyl-1,2,3,4,4a,4b,5,6,7,8,10,10a-dodecahydro-1-phenanthrenyl)acetate Methyl 2-(2-benzoyl-7-hydroxy-2,4b-dimethyl-1,3,4,4a,5,6,7,8,10,10a-decahydrophenanthren-1-yl)acetate Methyl 2-[2,4b-dimethyl-7-oxidanyl-2-(phenylcarbonyl)-1,3,4,4a,5,6,7,8,10,10a-decahydrophenanthren-1-yl]ethanoate
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Formula C26H34O4
InChI InChI=1S/C26H34O4/c1-25-13-11-19(27)15-18(25)9-10-20-21(25)12-14-26(2,22(20)16-23(28)30-3)24(29)17-7-5-4-6-8-17/h4-9,19-22,27H,10-16H2,1-3H3
InChIKey RQSLTZQKYUEWTJ-UHFFFAOYSA-N
Molecular Weight 410.554 g/mol
SMILES OC1CC=2C(CC1)(C)C1C(CC2)C(C(CC1)(C(=O)c1ccccc1)C)CC(=O)OC
SPLASH splash10-0bvi-8964100000-14104f6763f40e03ac8c
Wiley ID 1480407