ChemSpider 2D Image | (10aS,11S,11aR,18R,18aS)-10a,11a-Dihydroxy-11-methoxy-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]in dole-10,20(6H,10aH)-dione | C33H34N4O5

(10aS,11S,11aR,18R,18aS)-10a,11a-Dihydroxy-11-methoxy-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]in dole-10,20(6H,10aH)-dione

  • Molecular FormulaC33H34N4O5
  • Average mass566.647 Da
  • Monoisotopic mass566.252930 Da
  • ChemSpider ID23326454

  • 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

(10aS,11S,11aR,18R,18aS)-10a,11a-Dihydroxy-11-methoxy-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]in dol-10,20(6H,10aH)-dion [German] [ACD/IUPAC Name]
(10aS,11S,11aR,18R,18aS)-10a,11a-Dihydroxy-11-methoxy-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]in dole-10,20(6H,10aH)-dione [ACD/IUPAC Name]
(10aS,11S,11aR,18R,18aS)-10a,11a-Dihydroxy-11-méthoxy-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]in dole-10,20(6H,10aH)-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-11-methoxy-6,6,17,17,18-pentamethy l-, (10aS,11S,11aR,18R,18aS)- [ACD/Index Name]
(10aS,11S,11aR,18R,18aS)-10a,11a-dihydroxy-11-methoxy-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,10aH)-dione
(1Z,4S,5R,14R,15S,16S,19Z)-14,16-Dihydroxy-15-methoxy-5,6,6,21,21-pentamethyl-3,7,18,23-tetrazaoctacyclo[16.13.0.03,16.04,7.04,14.08,13.022,30.024,29]hentriaconta-1(31),8,10,12,19,22(30),24,26,28-nonaene-2,17-dione
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-11-methoxy-6,6,17,17,18-pentamethyl-, (10aS,11S,11aR,18R,18aS)-
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL501004/
okaramine B

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

Density: 1.5±0.1 g/cm3
Boiling Point: 846.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 128.9±3.0 kJ/mol
Flash Point: 465.7±34.3 °C
Index of Refraction: 1.766
Molar Refractivity: 157.0±0.4 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 2
ACD/LogP: 5.61
ACD/LogD (pH 5.5): 5.05
ACD/BCF (pH 5.5): 4042.58
ACD/KOC (pH 5.5): 13265.59
ACD/LogD (pH 7.4): 5.05
ACD/BCF (pH 7.4): 4046.90
ACD/KOC (pH 7.4): 13279.77
Polar Surface Area: 109 Å2
Polarizability: 62.2±0.5 10-24cm3
Surface Tension: 83.4±5.0 dyne/cm
Molar Volume: 379.4±5.0 cm3

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