ChemSpider 2D Image | (3aR,3a'S,3a''R,3a'''R,3a''''R,8aR,8a'S,8a''R,8a'''R,8a''''R)-1,1',1'',1''',1''''-Pentamethyl-2,2',2'',2''',2'''',3,3',3'',3''',3'''',8,8',8'',8''',8'''',8a,8a',8a'',8a''',8a''''-icosahydro-1H,1'H,1'' H,1'''H,1''''H-3a,7':3a',3a'':7'',3a''':7''',3a''''-quinquepyrrolo[2,3-b]indole | C55H62N10

(3aR,3a'S,3a''R,3a'''R,3a''''R,8aR,8a'S,8a''R,8a'''R,8a''''R)-1,1',1'',1''',1''''-Pentamethyl-2,2',2'',2''',2'''',3,3',3'',3''',3'''',8,8',8'',8''',8'''',8a,8a',8a'',8a''',8a''''-icosahydro-1H,1'H,1'' H,1'''H,1''''H-3a,7':3a',3a'':7'',3a''':7''',3a''''-quinquepyrrolo[2,3-b]indole

  • Molecular FormulaC55H62N10
  • Average mass863.148 Da
  • Monoisotopic mass862.515869 Da
  • ChemSpider ID128921665

  • defined stereocentres - 9 of 10 defined stereocentres

More details:

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

(3aR,3a'S,3a''R,3a'''R,3a''''R,8aR,8a'S,8a''R,8a'''R,8a''''R)-1,1',1'',1''',1''''-Pentamethyl-2,2',2'',2''',2'''',3,3',3'',3''',3'''',8,8',8'',8''',8'''',8a,8a',8a'',8a''',8a''''-icosahydro-1H,1'H,1'' H,1'''H,1''''H-3a,7':3a',3a'':7'',3a''':7''',3a''''-quinquepyrrolo[2,3-b]indol [German] [ACD/IUPAC Name]
(3aR,3a'S,3a''R,3a'''R,3a''''R,8aR,8a'S,8a''R,8a'''R,8a''''R)-1,1',1'',1''',1''''-Pentamethyl-2,2',2'',2''',2'''',3,3',3'',3''',3'''',8,8',8'',8''',8'''',8a,8a',8a'',8a''',8a''''-icosahydro-1H,1'H,1'' H,1'''H,1''''H-3a,7':3a',3a'':7'',3a''':7''',3a''''-quinquepyrrolo[2,3-b]indole [ACD/IUPAC Name]
(3aR,3a'S,3a''R,3a'''R,3a''''R,8aR,8a'S,8a''R,8a'''R,8a''''R)-1,1',1'',1''',1''''-Pentaméthyl-2,2',2'',2''',2'''',3,3',3'',3''',3'''',8,8',8'',8''',8'''',8a,8a',8a'',8a''',8a''''-icosahydro-1H,1'H,1'' H,1'''H,1''''H-3a,7':3a',3a'':7'',3a''':7''',3a''''-quinquepyrrolo[2,3-b]indole [French] [ACD/IUPAC Name]
3a(1H),7':3'a,3''a(1'H,1''H):7'',3'''a(1'''H):7''',3''''a(1''''H)-Quinquepyrrolo[2,3-b]indole, 2,2',2'',2''',2'''',3,3',3'',3''',3'''',8,8',8'',8''',8'''',8a,8'a,8''a,8'''a,8''''a-eicosahydro-1,1',1'' ,1''',1''''-pentamethyl-, (3aR,3a'S,3a''R,3a'''R,3a''''R,8aR,8a'S,8a''R,8a'''R,8a''''R)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.687
Molar Refractivity: 255.7±0.3 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 3
ACD/LogP: 1.17
ACD/LogD (pH 5.5): -4.55
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.94
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 76 Å2
Polarizability: 101.4±0.5 10-24cm3
Surface Tension: 56.0±3.0 dyne/cm
Molar Volume: 670.9±3.0 cm3

Click to predict properties on the Chemicalize site


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