ChemSpider 2D Image | Gibberellin A67 | C19H24O6

Gibberellin A67

  • Molecular FormulaC19H24O6
  • Average mass348.390 Da
  • Monoisotopic mass348.157288 Da
  • ChemSpider ID68026874

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(1R,2R,5S,7S,8R,9S,10R,11R)-5,7-Dihydroxy-11-methyl-6-methylen-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadecan-9-carbonsäure [German] [ACD/IUPAC Name]
(1R,2R,5S,7S,8R,9S,10R,11R)-5,7-Dihydroxy-11-methyl-6-methylene-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadecane-9-carboxylic acid [ACD/IUPAC Name]
105593-16-6 [RN]
4a,1-(Epoxymethano)-7,9a-methanobenz[a]azulene-10-carboxylic acid, dodecahydro-7,9-dihydroxy-1-methyl-8-methylene-13-oxo-, (1R,4aR,4bR,7S,9S,9aR,10S,10aR)- [ACD/Index Name]
Acide (1R,2R,5S,7S,8R,9S,10R,11R)-5,7-dihydroxy-11-méthyl-6-méthylène-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadécane-9-carboxylique [French] [ACD/IUPAC Name]
Gibberellin A67
(1R,2R,5S,7S,8R,9S,10R,11R)-5,7-Dihydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadecane-9-carboxylic acid
(1R,4aR,4bR,7S,9S,9aR,10S,10aR)-7,9-dihydroxy-1-methyl-8-methylene-13-oxododecahydro-4a,1-(epoxymethano)-7,9a-methanobenzo[a]azulene-10-carboxylic acid
(1R,4aR,4bR,7S,9S,9aR,10S,10aR)-7,9-dihydroxy-1-methyl-8-methylidene-13-oxododecahydro-4a,1-(epoxymethano)-7,9a-methanobenzo[a]azulene-10-carboxylic acid
7α,9β-dihydroxy-1β-methyl-8-methylidene-13-oxo-4a,1α-epoxymethano-4aα,4bβ-gibbane-10β-carboxylic acid
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  • Miscellaneous

    • Chemical Class:

      A C19-gibberellin, initially identified in Helianthus annuus. It differs from gibberellin A1 in the absence of an OH group at C-2 and the presen; ce of a beta-OH at C-9 (all gibbane numbering). ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:142005
      A C19-gibberellin, initially identified in Helianthus annuus. It differs from gibberellin A1 in the absence of an OH group at C-2 and the presence of a beta-OH at C-9 (all gibbane numbering). ChEBI CHEBI:142005

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

Density: 1.5±0.1 g/cm3
Boiling Point: 624.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.1 mmHg at 25°C
Enthalpy of Vaporization: 106.0±6.0 kJ/mol
Flash Point: 228.8±25.0 °C
Index of Refraction: 1.639
Molar Refractivity: 85.9±0.4 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: -0.03
ACD/LogD (pH 5.5): -1.19
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.08
ACD/LogD (pH 7.4): -2.91
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 104 Å2
Polarizability: 34.0±0.5 10-24cm3
Surface Tension: 69.0±5.0 dyne/cm
Molar Volume: 238.6±5.0 cm3

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