ChemSpider 2D Image | (10aR,11aR,16aS)-11a-Hydroxy-6,6-dimethyl-16-(2-methyl-3-buten-2-yl)-11,11a,16,16a-tetrahydro-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)-d
ione | C32H32N4O3

(10aR,11aR,16aS)-11a-Hydroxy-6,6-dimethyl-16-(2-methyl-3-buten-2-yl)-11,11a,16,16a-tetrahydro-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)-d ione

  • Molecular FormulaC32H32N4O3
  • Average mass520.622 Da
  • Monoisotopic mass520.247437 Da
  • ChemSpider ID4533963
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 3 defined stereocentres


More details:






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

(10aR,11aR,16aS)-11a-Hydroxy-6,6-dimethyl-16-(2-methyl-3-buten-2-yl)-11,11a,16,16a-tetrahydro-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)-di on [German] [ACD/IUPAC Name]
(10aR,11aR,16aS)-11a-Hydroxy-6,6-dimethyl-16-(2-methyl-3-buten-2-yl)-11,11a,16,16a-tetrahydro-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)-d ione [ACD/IUPAC Name]
(10aR,11aR,16aS)-11a-Hydroxy-6,6-diméthyl-16-(2-méthyl-3-butén-2-yl)-11,11a,16,16a-tétrahydro-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)-d ione [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-tetrahydro-11a-hydroxy-6,6-dimethyl-, (10a R,11aR,16aS)- [ACD/Index Name]
(10aR,11aR,16aS)-11a-hydroxy-6,6-dimethyl-16-(2-methylbut-3-en-2-yl)-11,11a,16,16a-tetrahydro-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
115444-43-4 [RN]
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-tetrahydro-11a-hydroxy-6,6-dimethyl-, (10aR,11aR,16aS)-
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-TETRAHYDRO-11A-HYDROXY-6,6-DIMETHYL-,(10AR,11AR,16AS)-
okaramine A

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

NSC624214 [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 800.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 122.1±3.0 kJ/mol
Flash Point: 438.1±34.3 °C
Index of Refraction: 1.742
Molar Refractivity: 150.9±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 4.61
ACD/LogD (pH 5.5): 4.38
ACD/BCF (pH 5.5): 1241.50
ACD/KOC (pH 5.5): 5679.52
ACD/LogD (pH 7.4): 4.38
ACD/BCF (pH 7.4): 1260.85
ACD/KOC (pH 7.4): 5768.06
Polar Surface Area: 80 Å2
Polarizability: 59.8±0.5 10-24cm3
Surface Tension: 74.0±5.0 dyne/cm
Molar Volume: 373.4±5.0 cm3

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