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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

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
Enantiomer InChIKey BQOJFPTWLOFINV-HODKFRTFSA-N

View Spectrum of 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

MS (GC) Spectrum
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Source of Spectrum G4-69-1383-8

View Spectrum of 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

13C NMR Spectrum
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CDCl3
  • 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
  • [(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-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-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
  • 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
FLORXENILIDE_A
ANTHELIATIN
Desoxy-havannahine
11,19-DESOXYHAVANNAHINE
7-EPI-11,19-DESOXYHAVANNAHINE
7,8,9-EPI-11,19-DESOXYHAVANNAHINE
9-DESACETYL-18-ACETOXY-7,8-EPOXY-13-EPI-XENICINE
8,9-EPI-11,19-DESOXY-7,18-HAVANNACHLORHYDRINE
ASTEROLAURIN_A
9-DESACETYL-7,8-EPOXY-13-EPI-XENICINE
Title Journal or Book Year
Cytotoxic Constituents from the Formosan Soft Coral Clavularia inflata var. luzoniana Journal of Natural Products 2006
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