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benzoic acid [(1S,4E,6S,7S,9R,10R)-10-acetoxy-13-[(1S,2R)-1,2-diacetoxy-4-methyl-pent-3-enyl]-7-hydroxy-4-methyl-8-methylene-11-oxabicyclo[7.4.0]trideca-4,12-dien-6-yl] ester

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

benzoic acid [(1S,4E,6S,7S,9R,10R)-10-acetoxy-13-[(1S,2R)-1,2-diacetoxy-4-methyl-pent-3-enyl]-7-hydroxy-4-methyl-8-methylene-11-oxabicyclo[7.4.0]trideca-4,12-dien-6-yl] ester
SpectraBase Compound ID BFDipNX01Pi
InChI InChI=1S/C33H40O10/c1-18(2)15-28(40-21(5)34)31(41-22(6)35)26-17-39-33(42-23(7)36)29-20(4)30(37)27(16-19(3)13-14-25(26)29)43-32(38)24-11-9-8-10-12-24/h8-12,15-17,25,27-31,33,37H,4,13-14H2,1-3,5-7H3/b19-16+/t25-,27+,28-,29+,30+,31+,33-/m1/s1
InChIKey BQOJFPTWLOFINV-HWZARPHISA-N
Mol Weight 596.7 g/mol
Molecular Formula C33H40O10
Exact Mass 596.262147 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ANotW9H3xR3
Name 1-Acetoxy-7-methyl-9-(benzoyloxy)-4-[1',2'-diacetoxy-4'-methyl-3'-pentenyl]-10-hydroxy-11-methylene-2-oxabicyclo[4.7.0]tridec-3-ene
Alternate Name(s) Benzoic acid (E)-(1R,4aS,9S,10S,11aR)-1-acetoxy-4-((1S,2R)-1,2-diacetoxy-4-methyl-pent-3-enyl)-10-hydroxy-7-methyl-11-methylene-1,4a,5,6,9,10,11,11a-octahydro-cyclonona[c]pyran-9-yl ester benzoic acid [(1R,4aS,7E,9S,10S,11aR)-1-acetyloxy-4-[(1S,2R)-1,2-diacetyloxy-4-methylpent-3-enyl]-10-hydroxy-7-methyl-11-methylene-4a,5,6,9,10,11a-hexahydro-1H-cyclonona[c]pyran-9-yl] ester [(1R,4aS,7E,9S,10S,11aR)-1-acetyloxy-4-[(1S,2R)-1,2-diacetyloxy-4-methylpent-3-enyl]-10-hydroxy-7-methyl-11-methylidene-4a,5,6,9,10,11a-hexahydro-1H-cyclonona[c]pyran-9-yl] benzoate [(1R,4aS,7E,9S,10S,11aR)-1-acetoxy-4-[(1S,2R)-1,2-diacetoxy-4-methyl-pent-3-enyl]-10-hydroxy-7-methyl-11-methylene-4a,5,6,9,10,11a-hexahydro-1H-cyclonona[c]pyran-9-yl] benzoate [(1R,4aS,7E,9S,10S,11aR)-1-acetyloxy-4-[(1S,2R)-1,2-diacetyloxy-4-methyl-pent-3-enyl]-7-methyl-11-methylidene-10-oxidanyl-4a,5,6,9,10,11a-hexahydro-1H-cyclonona[c]pyran-9-yl] benzoate
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Formula C33H40O10
InChI InChI=1S/C33H40O10/c1-18(2)15-28(40-21(5)34)31(41-22(6)35)26-17-39-33(42-23(7)36)29-20(4)30(37)27(16-19(3)13-14-25(26)29)43-32(38)24-11-9-8-10-12-24/h8-12,15-17,25,27-31,33,37H,4,13-14H2,1-3,5-7H3/b19-16+/t25-,27+,28-,29+,30+,31+,33-/m1/s1
InChIKey BQOJFPTWLOFINV-HWZARPHISA-N
Molecular Weight 596.673 g/mol
SMILES O[C@@]1([C@@](OC(=O)c2ccccc2)(\C=C\(CC[C@@]2(C([C@@]([C@@](C=C(C)C)(OC(=O)C)[H])(OC(=O)C)[H])=CO[C@@]([C@]2(C1=C)[H])(OC(=O)C)[H])[H])C)[H])[H]
SPLASH splash10-0f79-0910000000-9a5d764d78317e7a9e6b
Source of Spectrum G4-69-1383-8
Wiley ID 1694456