ChemSpider 2D Image | (6R,9S,13S,17R)-6-(Benzyloxy)-9,12,17-trihydroxy-16-methyl-8-(2-methyl-2-propanyl)-2,4,14,19-tetraoxahexacyclo[8.7.2.0~1,11~.0~3,7~.0~7,11~.0~13,17~]nonadecane-5,15,18-trione | C27H30O11

(6R,9S,13S,17R)-6-(Benzyloxy)-9,12,17-trihydroxy-16-methyl-8-(2-methyl-2-propanyl)-2,4,14,19-tetraoxahexacyclo[8.7.2.01,11.03,7.07,11.013,17]nonadecane-5,15,18-trione

  • Molecular FormulaC27H30O11
  • Average mass530.521 Da
  • Monoisotopic mass530.178833 Da
  • ChemSpider ID34980712
  • defined stereocentres - 4 of 12 defined stereocentres


More details:






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

(6R,9S,13S,17R)-6-(Benzyloxy)-9,12,17-trihydroxy-16-methyl-8-(2-methyl-2-propanyl)-2,4,14,19-tetraoxahexacyclo[8.7.2.01,11.03,7.07,11.013,17]nonadecan-5,15,18-trion [German] [ACD/IUPAC Name]
(6R,9S,13S,17R)-6-(Benzyloxy)-9,12,17-trihydroxy-16-methyl-8-(2-methyl-2-propanyl)-2,4,14,19-tetraoxahexacyclo[8.7.2.01,11.03,7.07,11.013,17]nonadecane-5,15,18-trione [ACD/IUPAC Name]
(6R,9S,13S,17R)-6-(Benzyloxy)-9,12,17-trihydroxy-16-méthyl-8-(2-méthyl-2-propanyl)-2,4,14,19-tétraoxahexacyclo[8.7.2.01,11.03,7.07,11.013,17]nonadécane-5,15,18-trione [French] [ACD/IUPAC Name]
6H-9,4a-(Epoxymethano)-3aH,9H-cyclopenta[c]furo[2,3-b]furo[3',2':3,4]cyclopenta[1,2-d]furan-2,6,13(1H)-trione, 11-(1,1-dimethylethyl)hexahydro-4b,8,10-trihydroxy-5-methyl-1-(phenylmethoxy)-, (1R,4bR,7 aS,10S)- [ACD/Index Name]
10-OBn-epi-GC
10-OBn-epi-ginkgolide C

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

Density: 1.6±0.1 g/cm3
Boiling Point: 830.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 126.5±3.0 kJ/mol
Flash Point: 281.9±27.8 °C
Index of Refraction: 1.660
Molar Refractivity: 125.3±0.4 cm3
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 2.61
ACD/LogD (pH 5.5): 1.61
ACD/BCF (pH 5.5): 9.81
ACD/KOC (pH 5.5): 178.45
ACD/LogD (pH 7.4): 1.61
ACD/BCF (pH 7.4): 9.81
ACD/KOC (pH 7.4): 178.38
Polar Surface Area: 158 Å2
Polarizability: 49.7±0.5 10-24cm3
Surface Tension: 76.1±5.0 dyne/cm
Molar Volume: 339.1±5.0 cm3

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