ChemSpider 2D Image | (1R,3R,6R,7S,9R,10S,11R,12R,13S,16S,17R)-6,9,12,17-Tetrahydroxy-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 | C20H24O11

(1R,3R,6R,7S,9R,10S,11R,12R,13S,16S,17R)-6,9,12,17-Tetrahydroxy-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 FormulaC20H24O11
  • Average mass440.398 Da
  • Monoisotopic mass440.131866 Da
  • ChemSpider ID26330340
  • defined stereocentres - 12 of 12 defined stereocentres


More details:






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

(1R,3R,6R,7S,9R,10S,11R,12R,13S,16S,17R)-6,9,12,17-Tetrahydroxy-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]
(1R,3R,6R,7S,9R,10S,11R,12R,13S,16S,17R)-6,9,12,17-Tetrahydroxy-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]
(1R,3R,6R,7S,9R,10S,11R,12R,13S,16S,17R)-6,9,12,17-Tétrahydroxy-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]
15291-76-6 [RN]
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-1,4b,8,10-tetrahydroxy-5-methyl-, (1R,3aR,4aR,4bR,5S,7aS, 8R,8aR,9S,10R,11aS)- [ACD/Index Name]
(1R,3R,6R,7S,8S,9R,10S,11R,12R,13S,16S,17R)-8-tert-butyl-6,9,12,17-tetrahydroxy-16-methyl-2,4,14,19-tetraoxahexacyclo[8.7.2.01,11.03,7.07,11.013,17]nonadecane-5,15,18-trione
GINKGOLIDE C
ginkgolide-C

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

32ZQ957R4A [DBID]
UNII:32ZQ957R4A [DBID]
UNII-32ZQ957R4A [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.7±0.1 g/cm3
Boiling Point: 813.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.6 mmHg at 25°C
Enthalpy of Vaporization: 134.7±6.0 kJ/mol
Flash Point: 291.4±27.8 °C
Index of Refraction: 1.671
Molar Refractivity: 95.7±0.4 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: 0.16
ACD/LogD (pH 5.5): -0.42
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 14.15
ACD/LogD (pH 7.4): -0.42
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 14.15
Polar Surface Area: 169 Å2
Polarizability: 37.9±0.5 10-24cm3
Surface Tension: 88.2±5.0 dyne/cm
Molar Volume: 255.9±5.0 cm3

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