ChemSpider 2D Image | (7Z,10aS,11aS,16aR,18aS,19S)-11a,19-Dihydroxy-6,6-dimethyl-16-(2-methyl-3-buten-2-yl)-11,11a,16,16a,18a,19-hexahydro-5H-indolo[3''',2''':4'',5'']azocino[1'',2'':4',5']pyrazino[1',2':1,5]pyrrolo[2,3-b] indole-10,18(6H,10aH)-dione | C32H34N4O4

(7Z,10aS,11aS,16aR,18aS,19S)-11a,19-Dihydroxy-6,6-dimethyl-16-(2-methyl-3-buten-2-yl)-11,11a,16,16a,18a,19-hexahydro-5H-indolo[3''',2''':4'',5'']azocino[1'',2'':4',5']pyrazino[1',2':1,5]pyrrolo[2,3-b] indole-10,18(6H,10aH)-dione

  • Molecular FormulaC32H34N4O4
  • Average mass538.637 Da
  • Monoisotopic mass538.257996 Da
  • ChemSpider ID78437404

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(7Z,10aS,11aS,16aR,18aS,19S)-11a,19-Dihydroxy-6,6-dimethyl-16-(2-methyl-3-buten-2-yl)-11,11a,16,16a,18a,19-hexahydro-5H-indolo[3''',2''':4'',5'']azocino[1'',2'':4',5']pyrazino[1',2':1,5]pyrrolo[2,3-b] indol-10,18(6H,10aH)-dion [German] [ACD/IUPAC Name]
(7Z,10aS,11aS,16aR,18aS,19S)-11a,19-Dihydroxy-6,6-dimethyl-16-(2-methyl-3-buten-2-yl)-11,11a,16,16a,18a,19-hexahydro-5H-indolo[3''',2''':4'',5'']azocino[1'',2'':4',5']pyrazino[1',2':1,5]pyrrolo[2,3-b] indole-10,18(6H,10aH)-dione [ACD/IUPAC Name]
(7Z,10aS,11aS,16aR,18aS,19S)-11a,19-Dihydroxy-6,6-diméthyl-16-(2-méthyl-3-butén-2-yl)-11,11a,16,16a,18a,19-hexahydro-5H-indolo[3''',2''':4'',5'']azocino[1'',2'':4',5']pyrazino[1',2':1,5]pyrrolo[2,3-b] indole-10,18(6H,10aH)-dione [French] [ACD/IUPAC Name]
5H-Indolo[3''',2''':4'',5'']azocino[1'',2'':4',5']pyrazino[1',2':1,5]pyrrolo[2,3-b]indole-10,18(6H,10aH)-dione, 16-(1,1-dimethyl-2-propen-1-yl)-11,11a,16,16a,18a,19-hexahydro-11a,19-dihydroxy-6,6-dime thyl-, (7Z,10aS,11aS,16aR,18aS,19S)- [ACD/Index Name]
Okaramine O

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

Density: 1.4±0.1 g/cm3
Boiling Point: 820.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 125.0±3.0 kJ/mol
Flash Point: 450.0±34.3 °C
Index of Refraction: 1.740
Molar Refractivity: 152.7±0.4 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 1.96
ACD/LogD (pH 5.5): 2.39
ACD/BCF (pH 5.5): 38.63
ACD/KOC (pH 5.5): 474.61
ACD/LogD (pH 7.4): 2.40
ACD/BCF (pH 7.4): 38.99
ACD/KOC (pH 7.4): 479.07
Polar Surface Area: 100 Å2
Polarizability: 60.5±0.5 10-24cm3
Surface Tension: 77.7±5.0 dyne/cm
Molar Volume: 378.7±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement