ChemSpider 2D Image | (1R,2R,5S,8S,9S,10R,11S,12S)-12-(beta-D-Glucopyranosyloxy)-5-hydroxy-11-methyl-6-methylene-16-oxo-15-oxapentacyclo[9.3.2.1~5,8~.0~1,10~.0~2,8~]heptadec-13-ene-9-carboxylate | C25H31O11

(1R,2R,5S,8S,9S,10R,11S,12S)-12-(β-D-Glucopyranosyloxy)-5-hydroxy-11-methyl-6-methylene-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadec-13-ene-9-carboxylate

  • Molecular FormulaC25H31O11
  • Average mass507.508 Da
  • Monoisotopic mass507.187195 Da
  • ChemSpider ID26331724

  • Charge - Charge

    defined stereocentres - 13 of 13 defined stereocentres

More details:

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

(1R,2R,5S,8S,9S,10R,11S,12S)-12-(β-D-Glucopyranosyloxy)-5-hydroxy-11-methyl-6-methylen-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadec-13-en-9-carboxylat [German] [ACD/IUPAC Name]
(1R,2R,5S,8S,9S,10R,11S,12S)-12-(β-D-Glucopyranosyloxy)-5-hydroxy-11-methyl-6-methylene-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadec-13-ene-9-carboxylate [ACD/IUPAC Name]
(1R,2R,5S,8S,9S,10R,11S,12S)-12-(β-D-Glucopyranosyloxy)-5-hydroxy-11-méthyl-6-méthylène-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadéc-13-ène-9-carboxylate [French] [ACD/IUPAC Name]
4a,1-(Epoxymethano)-7,9a-methanobenz[a]azulene-10-carboxylic acid, 2-(β-D-glucopyranosyloxy)-1,2,4b,5,6,7,8,9,10,10a-decahydro-7-hydroxy-1-methyl-8-methylene-13-oxo-, ion(1-), (1S,2S,4aR,4bR,7S,9aS ,10S,10aR)- [ACD/Index Name]
(1R,2R,5S,8S,9S,10R,11S,12S)-12-(β-D-glucopyranosyloxy)-5-hydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.1(5,8).0(1,10).0(2,8)]heptadec-13-ene-9-carboxylate
(1R,2R,5S,8S,9S,10R,11S,12S)-12-(β-D-glucopyranosyloxy)-5-hydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.1(5,8).0(1,10).0(2,8)]heptadec-13-ene-9-carboxylate; 2β-(β-D-glucopyran
(1R,2R,5S,8S,9S,10R,11S,12S)-12-(β-D-glucopyranosyloxy)-5-hydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.1(5,8).0(1,10).0(2,8)]heptadec-13-ene-9-carboxylate; 2β-(β-D-glucopyranosyloxy)-2β-hydroxy-1β-methyl-8-methylidene-13-oxo-4a,1α-epoxymethano-4aα,4bβ-gibb-3-ene-10β-carboxylate
2β-(β-D-glucopyranosyloxy)-2β-hydroxy-1β-methyl-8-methylidene-13-oxo-4a,1α-epoxymethano-4aα,4bβ-gibb-3-ene-10β-carboxylate
gibberellin A3 O-β-D-glucoside
gibberellin A3 O-β-D-glucoside OK
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  • Miscellaneous

    • Chemical Class:

      Conjugate base of gibberellin A3 O-beta-D-glucoside arising from deprotonation of the carboxylic acid group ChEBI CHEBI:59791

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

Density:
Boiling Point: 814.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.6 mmHg at 25°C
Enthalpy of Vaporization: 134.8±6.0 kJ/mol
Flash Point: 277.8±27.8 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 11
#H bond donors: 6
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 3
ACD/LogP: -1.94
ACD/LogD (pH 5.5): -3.38
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.10
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 186 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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