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15,18-DIACETOXY-ABIETA-8,11,13-TRIEN-7-ONE

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15,18-DIACETOXY-ABIETA-8,11,13-TRIEN-7-ONE
SpectraBase Compound ID FERr5JqzzJh
InChI InChI=1S/C24H32O5/c1-15(25)28-14-23(5)10-7-11-24(6)19-9-8-17(22(3,4)29-16(2)26)12-18(19)20(27)13-21(23)24/h8-9,12,21H,7,10-11,13-14H2,1-6H3/t21-,23-,24+/m0/s1
InChIKey VPILKVNZBDMRIO-OEMFJLHTSA-N
Mol Weight 400.5 g/mol
Molecular Formula C24H32O5
Exact Mass 400.224974 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4GJEKjuY3k
Name [(1R,4aS,10aR)-7-(1-acetoxy-1-methyl-ethyl)-1,4a-dimethyl-9-oxo-3,4,10,10a-tetrahydro-2H-phenanthren-1-yl]methyl acetate
Alternate Name(s) [(1R,4aS,10aR)-7-(2-acetyloxypropan-2-yl)-1,4a-dimethyl-9-oxidanylidene-3,4,10,10a-tetrahydro-2H-phenanthren-1-yl]methyl ethanoate [(1R,4aS,10aR)-7-(2-acetyloxypropan-2-yl)-1,4a-dimethyl-9-oxo-3,4,10,10a-tetrahydro-2H-phenanthren-1-yl]methyl acetate Acetic acid [(1R,4aS,10aR)-7-(2-acetyloxypropan-2-yl)-1,4a-dimethyl-9-oxo-3,4,10,10a-tetrahydro-2H-phenanthren-1-yl]methyl ester
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Formula C24H32O5
InChI InChI=1S/C24H32O5/c1-15(25)28-14-23(5)10-7-11-24(6)19-9-8-17(22(3,4)29-16(2)26)12-18(19)20(27)13-21(23)24/h8-9,12,21H,7,10-11,13-14H2,1-6H3/t21-,23-,24+/m0/s1
InChIKey VPILKVNZBDMRIO-OEMFJLHTSA-N
Molecular Weight 400.515 g/mol
SMILES [C@]12(c3c(cc(C(OC(=O)C)(C)C)cc3)C(C[C@]1([C@@](COC(=O)C)(C)CCC2)[H])=O)C
SPLASH splash10-0006-5179000000-95ecb815c1a03f65fc5e
Source of Spectrum G4-61-1309-2
Wiley ID 1607498