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7.alpha.-Acetoxy-15-hydroxyabieta-8,11,13-trien-18-al

View entire compound with spectra: 1 NMR, and 1 MS (GC)

7.alpha.-Acetoxy-15-hydroxyabieta-8,11,13-trien-18-al
SpectraBase Compound ID AfTgzVuFxMg
InChI InChI=1S/C22H30O4/c1-14(24)26-18-12-19-21(4,13-23)9-6-10-22(19,5)17-8-7-15(11-16(17)18)20(2,3)25/h7-8,11,13,18-19,25H,6,9-10,12H2,1-5H3/t18-,19+,21+,22-/m1/s1
InChIKey QQRIQPRRTYDUEP-XMGTWHOFSA-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 VQnNmvI5aG
Name 7.alpha.-Acetoxy-15-hydroxyabieta-8,11,13-trien-18-al
Alternate Name(s) (4beta,7alpha)-15-hydroxy-18-oxoabieta-8,11,13-trien-7-yl acetate Acetic acid[(1R,4aS,9R,10aR)-1-formyl-7-(1-hydroxy-1-methyl-ethyl)-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthren-9-yl]ester Acetic acid[(1R,4aS,9R,10aR)-1-formyl-7-(2-hydroxypropan-2-yl)-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthren-9-yl]ester [(1R,4aS,9R,10aR)-1-formyl-7-(1-hydroxy-1-methyl-ethyl)-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthren-9-yl]acetate [(1R,4aS,9R,10aR)-1-formyl-7-(2-hydroxypropan-2-yl)-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthren-9-yl]acetate [(1R,4aS,9R,10aR)-1-methanoyl-1,4a-dimethyl-7-(2-oxidanylpropan-2-yl)-2,3,4,9,10,10a-hexahydrophenanthren-9-yl]ethanoate Acetic acid [(1R,4aS,9R,10aR)-1-formyl-7-(2-hydroxypropan-2-yl)-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthren-9-yl] ester [(1R,4aS,9R,10aR)-1-formyl-7-(2-hydroxypropan-2-yl)-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthren-9-yl] acetate [(1R,4aS,9R,10aR)-1-formyl-7-(1-hydroxy-1-methyl-ethyl)-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthren-9-yl] acetate [(1R,4aS,9R,10aR)-1-methanoyl-1,4a-dimethyl-7-(2-oxidanylpropan-2-yl)-2,3,4,9,10,10a-hexahydrophenanthren-9-yl] ethanoate
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Formula C22H30O4
InChI InChI=1S/C22H30O4/c1-14(24)26-18-12-19-21(4,13-23)9-6-10-22(19,5)17-8-7-15(11-16(17)18)20(2,3)25/h7-8,11,13,18-19,25H,6,9-10,12H2,1-5H3/t18-,19+,21+,22-/m1/s1
InChIKey QQRIQPRRTYDUEP-XMGTWHOFSA-N
Molecular Weight 358.478 g/mol
SMILES OC(c1ccc2[C@@]3([C@@](C[C@@](OC(=O)C)(c2c1)[H])([C@@](C=O)(C)CCC3)[H])C)(C)C
SPLASH splash10-052e-4490000000-2bb6cd2f9b4455f629c4
Source of Spectrum G4-61-1309-1
Wiley ID 1607501