ChemSpider 2D Image | interiotherin C | C30H36O10

interiotherin C

  • Molecular FormulaC30H36O10
  • Average mass556.601 Da
  • Monoisotopic mass556.230835 Da
  • ChemSpider ID8274767

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 4 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(2Z)-2-Méthyl-2-buténoate de (5R,6S,7R,8R)-8-acétoxy-1,2,3,13-tétraméthoxy-6,7-diméthyl-5,6,7,8-tétrahydrobenzo[3',4']cycloocta[1',2':4,5]benzo[1,2-d][1,3]dioxol-5-yle [French] [ACD/IUPAC Name]
(5R,6S,7R,8R)-8-Acetoxy-1,2,3,13-tetramethoxy-6,7-dimethyl-5,6,7,8-tetrahydrobenzo[3',4']cycloocta[1',2':4,5]benzo[1,2-d][1,3]dioxol-5-yl (2Z)-2-methyl-2-butenoate [ACD/IUPAC Name]
(5R,6S,7R,8R)-8-Acetoxy-1,2,3,13-tetramethoxy-6,7-dimethyl-5,6,7,8-tetrahydrobenzo[3',4']cycloocta[1',2':4,5]benzo[1,2-d][1,3]dioxol-5-yl-(2Z)-2-methyl-2-butenoat [German] [ACD/IUPAC Name]
2-Butenoic acid, 2-methyl-, (5R,6S,7R,8R)-8-(acetyloxy)-5,6,7,8-tetrahydro-1,2,3,13-tetramethoxy-6,7-dimethylbenzo[3',4']cycloocta[1',2':4,5]benzo[1,2-d][1,3]dioxol-5-yl ester, (2Z)- [ACD/Index Name]
interiotherin C
(5R,6S,7R,8R)-8-(acetyloxy)-1,2,3,13-tetramethoxy-6,7-dimethyl-5,6,7,8-tetrahydrobenzo[3',4']cycloocta[1',2':4,5]benzo[1,2-d][1,3]dioxol-5-yl (2Z)-2-methylbut-2-enoate
[(8R,9S,10R,11R)-11-acetyloxy-3,4,5,19-tetramethoxy-9,10-dimethyl-15,17-dioxatetracyclo[10.7.0.02,7.014,18]nonadeca-1(19),2,4,6,12,14(18)-hexaen-8-yl] (Z)-2-methylbut-2-enoate
2-Butenoic acid, 2-methyl-, (5R,6S,7R,8R,13aS)-8-(acetyloxy)-5,6,7,8-tetrahydro-1,2,3,13-tetramethoxy-6,7-dimethylbenzo(3,4)cycloocta(1,2-f)(1,3)benzodioxol-5-ylester, (2Z)-
460090-65-7 [RN]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL488100/
  • Miscellaneous

    • Chemical Class:

      A lignan with a dibenzocyclooctadiene skeleton attached to a fatty acid ester and acetate side chains. It is isolated from <ital>Kadsura ananosma</ital> and has been shown to exhibit neuroprotective activity. ChEBI CHEBI:67455
      A lignan with a dibenzocyclooctadiene skeleton attached to a fatty acid ester and acetate side chains. It is isolated from Kadsura ananosma and has been shown to exhibit neuroprotective ; activity. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:67455
      A lignan with a dibenzocyclooctadiene skeleton attached to a fatty acid ester and acetate side chains. It is isolated from Kadsura ananosma and has been shown to exhibit neuroprotective activity. ChEBI CHEBI:67455

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 632.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 93.5±3.0 kJ/mol
Flash Point: 264.5±31.5 °C
Index of Refraction: 1.572
Molar Refractivity: 144.4±0.4 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: 6.41
ACD/LogD (pH 5.5): 4.82
ACD/BCF (pH 5.5): 2692.33
ACD/KOC (pH 5.5): 9928.45
ACD/LogD (pH 7.4): 4.82
ACD/BCF (pH 7.4): 2692.33
ACD/KOC (pH 7.4): 9928.45
Polar Surface Area: 108 Å2
Polarizability: 57.3±0.5 10-24cm3
Surface Tension: 51.3±5.0 dyne/cm
Molar Volume: 438.8±5.0 cm3

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