Found 19 results

Search term: MF = 'C_{26}H_{38}O_{11}'
ChemSpider 2D Image | (2aR,4S,4aR,5R,6R,8S,9aS,10S,10aR,10bS)-5,6,8-Trihydroxy-9a-(2-hydroxy-2-propanyl)-4a,7-dimethyl-3,4,4a,5,6,8,9,9a,10,10a-decahydro-1H-azuleno[5',6':3,4]benzo[1,2-b]oxete-4,10,10b(2aH)-triyl triacetat e | C26H38O11

(2aR,4S,4aR,5R,6R,8S,9aS,10S,10aR,10bS)-5,6,8-Trihydroxy-9a-(2-hydroxy-2-propanyl)-4a,7-dimethyl-3,4,4a,5,6,8,9,9a,10,10a-decahydro-1H-azuleno[5',6':3,4]benzo[1,2-b]oxete-4,10,10b(2aH)-triyl triacetat e

  • Molecular FormulaC26H38O11
  • Average mass526.573 Da
  • Monoisotopic mass526.241394 Da
  • ChemSpider ID9137659

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(2aR,4S,4aR,5R,6R,8S,9aS,10S,10aR,10bS)-5,6,8-Trihydroxy-9a-(2-hydroxy-2-propanyl)-4a,7-dimethyl-3,4,4a,5,6,8,9,9a,10,10a-decahydro-1H-azuleno[5',6':3,4]benzo[1,2-b]oxet-4,10,10b(2aH)-triyl-triacetat [German] [ACD/IUPAC Name]
(2aR,4S,4aR,5R,6R,8S,9aS,10S,10aR,10bS)-5,6,8-Trihydroxy-9a-(2-hydroxy-2-propanyl)-4a,7-dimethyl-3,4,4a,5,6,8,9,9a,10,10a-decahydro-1H-azuleno[5',6':3,4]benzo[1,2-b]oxete-4,10,10b(2aH)-triyl triacetat e [ACD/IUPAC Name]
1H-Azuleno[5',6':3,4]benz[1,2-b]oxete-4,5,6,8,10,10b(2aH)-hexol, 3,4,4a,5,6,8,9,9a,10,10a-decahydro-9a-(1-hydroxy-1-methylethyl)-4a,7-dimethyl-, 4,10,10b-triacetate, (2aR,4S,4aR,5R,6R,8S,9aS,10S,10aR, 10bS)- [ACD/Index Name]
Triacétate de (2aR,4S,4aR,5R,6R,8S,9aS,10S,10aR,10bS)-5,6,8-trihydroxy-9a-(2-hydroxy-2-propanyl)-4a,7-diméthyl-3,4,4a,5,6,8,9,9a,10,10a-décahydro-1H-azuléno[5',6':3,4]benzo[1,2-b]oxète-4,10,10b(2aH)-t riyle [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 630.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.2 mmHg at 25°C
Enthalpy of Vaporization: 106.8±6.0 kJ/mol
Flash Point: 203.1±25.0 °C
Index of Refraction: 1.579
Molar Refractivity: 127.1±0.4 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 0.43
ACD/LogD (pH 5.5): 0.69
ACD/BCF (pH 5.5): 1.97
ACD/KOC (pH 5.5): 56.49
ACD/LogD (pH 7.4): 0.69
ACD/BCF (pH 7.4): 1.97
ACD/KOC (pH 7.4): 56.49
Polar Surface Area: 169 Å2
Polarizability: 50.4±0.5 10-24cm3
Surface Tension: 61.4±5.0 dyne/cm
Molar Volume: 382.1±5.0 cm3

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