ChemSpider 2D Image | (10aR,11aS,18S,18aR)-10a,11a-Dihydroxy-6,6,17,17,18-pentamethyl-11,11a,17,18-tetrahydro-5H-azeto[1,2-a]indolo[3''',2''':4'',5'']azocino[1'',2'':4',5']pyrazino[1',2':1,5]pyrrolo[2,3-b]indole-10,20(6H,1 0aH)-dione | C32H32N4O4

(10aR,11aS,18S,18aR)-10a,11a-Dihydroxy-6,6,17,17,18-pentamethyl-11,11a,17,18-tetrahydro-5H-azeto[1,2-a]indolo[3''',2''':4'',5'']azocino[1'',2'':4',5']pyrazino[1',2':1,5]pyrrolo[2,3-b]indole-10,20(6H,1 0aH)-dione

  • Molecular FormulaC32H32N4O4
  • Average mass536.621 Da
  • Monoisotopic mass536.242371 Da
  • ChemSpider ID78438266

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(10aR,11aS,18S,18aR)-10a,11a-Dihydroxy-6,6,17,17,18-pentamethyl-11,11a,17,18-tetrahydro-5H-azeto[1,2-a]indolo[3''',2''':4'',5'']azocino[1'',2'':4',5']pyrazino[1',2':1,5]pyrrolo[2,3-b]indol-10,20(6H,10 aH)-dion [German] [ACD/IUPAC Name]
(10aR,11aS,18S,18aR)-10a,11a-Dihydroxy-6,6,17,17,18-pentamethyl-11,11a,17,18-tetrahydro-5H-azeto[1,2-a]indolo[3''',2''':4'',5'']azocino[1'',2'':4',5']pyrazino[1',2':1,5]pyrrolo[2,3-b]indole-10,20(6H,1 0aH)-dione [ACD/IUPAC Name]
(10aR,11aS,18S,18aR)-10a,11a-Dihydroxy-6,6,17,17,18-pentaméthyl-11,11a,17,18-tétrahydro-5H-azéto[1,2-a]indolo[3''',2''':4'',5'']azocino[1'',2'':4',5']pyrazino[1',2':1,5]pyrrolo[2,3-b]indole-10,20(6H,1 0aH)-dione [French] [ACD/IUPAC Name]
5H-Azeto[1,2-a]indolo[3''',2''':4'',5'']azocino[1'',2'':4',5']pyrazino[1',2':1,5]pyrrolo[2,3-b]indole-10,20(6H,10aH)-dione, 11,11a,17,18-tetrahydro-10a,11a-dihydroxy-6,6,17,17,18-pentamethyl-, (10aR,1 1aS,18S,18aR)- [ACD/Index Name]
Okaramine Q

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

Density: 1.5±0.1 g/cm3
Boiling Point: 838.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 127.6±3.0 kJ/mol
Flash Point: 460.6±34.3 °C
Index of Refraction: 1.787
Molar Refractivity: 150.6±0.4 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 1
ACD/LogP: 4.55
ACD/LogD (pH 5.5): 4.26
ACD/BCF (pH 5.5): 1008.57
ACD/KOC (pH 5.5): 4877.45
ACD/LogD (pH 7.4): 4.27
ACD/BCF (pH 7.4): 1036.23
ACD/KOC (pH 7.4): 5011.19
Polar Surface Area: 100 Å2
Polarizability: 59.7±0.5 10-24cm3
Surface Tension: 86.5±5.0 dyne/cm
Molar Volume: 356.8±5.0 cm3

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