ChemSpider 2D Image | (7aS,8aR,13aS,15aS,16aS)-8a,16a-Dihydroxy-5a,13a-bis(2-methyl-3-buten-2-yl)-5a,8,8a,13,13a,15a,16,16a-octahydroindolo[3''',2''':4'',5'']pyrrolo[1'',2'':4',5']pyrazino[1',2':1,5]pyrrolo[2,3-b]indole-7,
15(5H,7aH)-dione | C32H36N4O4

(7aS,8aR,13aS,15aS,16aS)-8a,16a-Dihydroxy-5a,13a-bis(2-methyl-3-buten-2-yl)-5a,8,8a,13,13a,15a,16,16a-octahydroindolo[3''',2''':4'',5'']pyrrolo[1'',2'':4',5']pyrazino[1',2':1,5]pyrrolo[2,3-b]indole-7, 15(5H,7aH)-dione

  • Molecular FormulaC32H36N4O4
  • Average mass540.653 Da
  • Monoisotopic mass540.273682 Da
  • ChemSpider ID75555171
  • defined stereocentres - 5 of 6 defined stereocentres


More details:






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

(7aS,8aR,13aS,15aS,16aS)-8a,16a-Dihydroxy-5a,13a-bis(2-methyl-3-buten-2-yl)-5a,8,8a,13,13a,15a,16,16a-octahydroindolo[3''',2''':4'',5'']pyrrolo[1'',2'':4',5']pyrazino[1',2':1,5]pyrrolo[2,3-b]indol-7,1 5(5H,7aH)-dion [German] [ACD/IUPAC Name]
(7aS,8aR,13aS,15aS,16aS)-8a,16a-Dihydroxy-5a,13a-bis(2-methyl-3-buten-2-yl)-5a,8,8a,13,13a,15a,16,16a-octahydroindolo[3''',2''':4'',5'']pyrrolo[1'',2'':4',5']pyrazino[1',2':1,5]pyrrolo[2,3-b]indole-7, 15(5H,7aH)-dione [ACD/IUPAC Name]
(7aS,8aR,13aS,15aS,16aS)-8a,16a-Dihydroxy-5a,13a-bis(2-méthyl-3-butén-2-yl)-5a,8,8a,13,13a,15a,16,16a-octahydroindolo[3''',2''':4'',5'']pyrrolo[1'',2'':4',5']pyrazino[1',2':1,5]pyrrolo[2,3-b]indole-7, 15(5H,7aH)-dione [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 756.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 115.6±3.0 kJ/mol
Flash Point: 411.2±32.9 °C
Index of Refraction: 1.706
Molar Refractivity: 151.8±0.4 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 2.41
ACD/LogD (pH 5.5): 2.75
ACD/BCF (pH 5.5): 72.75
ACD/KOC (pH 5.5): 748.67
ACD/LogD (pH 7.4): 2.75
ACD/BCF (pH 7.4): 72.77
ACD/KOC (pH 7.4): 748.88
Polar Surface Area: 105 Å2
Polarizability: 60.2±0.5 10-24cm3
Surface Tension: 71.3±5.0 dyne/cm
Molar Volume: 390.1±5.0 cm3

Click to predict properties on the Chemicalize site






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