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18-ACETOXY-15-HYDROXY-ABIETA-8,11,13-TRIEN-7-ONE
SpectraBase Compound ID 3Sl8N8ECS5Q
InChI InChI=1S/C22H30O4/c1-14(23)26-13-21(4)9-6-10-22(5)17-8-7-15(20(2,3)25)11-16(17)18(24)12-19(21)22/h7-8,11,19,25H,6,9-10,12-13H2,1-5H3/t19-,21-,22+/m0/s1
InChIKey OZJHKGBWQRXAMH-ILWGZMRPSA-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 Is0QzP5F670
Name [(1R,4aS,10aR)-1,4a-dimethyl-9-oxidanylidene-7-(2-oxidanylpropan-2-yl)-3,4,10,10a-tetrahydro-2H-phenanthren-1-yl]methyl ethanoate
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Formula C22H30O4
InChI InChI=1S/C22H30O4/c1-14(23)26-13-21(4)9-6-10-22(5)17-8-7-15(20(2,3)25)11-16(17)18(24)12-19(21)22/h7-8,11,19,25H,6,9-10,12-13H2,1-5H3/t19-,21-,22+/m0/s1
InChIKey OZJHKGBWQRXAMH-ILWGZMRPSA-N
Molecular Weight 358.478 g/mol
SMILES OC(c1ccc2[C@@]3([C@@](CC(=O)c2c1)([C@@](COC(=O)C)(C)CCC3)[H])C)(C)C
SPLASH splash10-000f-0469000000-7de97841aafce920a13e
Source of Spectrum G4-61-1309-2
Synonyms [(1R,4aS,10aR)-7-(1-hydroxy-1-methyl-ethyl)-1,4a-dimethyl-9-oxo-3,4,10,10a-tetrahydro-2H-phenanthren-1-yl]methyl acetate [(1R,4aS,10aR)-7-(2-hydroxypropan-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-hydroxypropan-2-yl)-1,4a-dimethyl-9-oxo-3,4,10,10a-tetrahydro-2H-phenanthren-1-yl]methyl ester
Wiley ID 1607499