ChemSpider 2D Image | (1'S,3aS,5a'S,5a''R,6aR,7a'R,7a''S,9R,9aR,9bS,10a'R,10a''S,10b'R,10b''R)-5a',7a'-Dihydroxy-1'',3,6,8',8''-pentakis(methylene)-3a,4,5,5',5'',5a',5a'',6,6',6'',6a,7,7',7'',7a',7a'',8',8'',9a,9b,10a',10a '',10b',10b''-tetracosahydro-2H,2'H-dispiro[azuleno[4,5-b]furan-9,3'-benzo[1,8]azuleno[4,5-b]furan-1',3''-benzo[1,8]azuleno[4,5-b]furan]-2,2',2'',8,9',9''(1''H,3H,4'H,4''H)-hexone | C45H44O11

(1'S,3aS,5a'S,5a''R,6aR,7a'R,7a''S,9R,9aR,9bS,10a'R,10a''S,10b'R,10b''R)-5a',7a'-Dihydroxy-1'',3,6,8',8''-pentakis(methylene)-3a,4,5,5',5'',5a',5a'',6,6',6'',6a,7,7',7'',7a',7a'',8',8'',9a,9b,10a',10a '',10b',10b''-tetracosahydro-2H,2'H-dispiro[azuleno[4,5-b]furan-9,3'-benzo[1,8]azuleno[4,5-b]furan-1',3''-benzo[1,8]azuleno[4,5-b]furan]-2,2',2'',8,9',9''(1''H,3H,4'H,4''H)-hexone

  • Molecular FormulaC45H44O11
  • Average mass760.824 Da
  • Monoisotopic mass760.288391 Da
  • ChemSpider ID129226076

  • defined stereocentres - 14 of 14 defined stereocentres

More details:

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

(1'S,3aS,5a'S,5a''R,6aR,7a'R,7a''S,9R,9aR,9bS,10a'R,10a''S,10b'R,10b''R)-5a',7a'-Dihydroxy-1'',3,6,8',8''-pentakis(methylene)-3a,4,5,5',5'',5a',5a'',6,6',6'',6a,7,7',7'',7a',7a'',8',8'',9a,9b,10a',10a '',10b',10b''-tetracosahydro-2H,2'H-dispiro[azuleno[4,5-b]furan-9,3'-benzo[1,8]azuleno[4,5-b]furan-1',3''-benzo[1,8]azuleno[4,5-b]furan]-2,2',2'',8,9',9''(1''H,3H,4'H,4''H)-hexone [ACD/IUPAC Name]
Dispiro[azuleno[4,5-b]furan-9(2H),3'-[1H]benz[1,8]azuleno[4,5-b]furan-1'(2'H),3''-[3H]benz[1,8]azuleno[4,5-b]furan]-2,2',2'',8,9',9''(1''H,4''H,4'H,3H)-hexone, 3a,4,5,5',5'',5'a,5''a,6,6',6'',6a,7,7', 7'',7'a,7''a,8',8'',9a,9b,10'a,10''a,10'b,10''b-tetracosahydro-5'a,7'a-dihydroxy-1'',3,6,8',8''-pentakis(methylene)-, (1'S,3aS,5a'S,5a''R,6aR,7a'R,7a''S,9R,9aR,9bS,10a'R,10a''S,10b'R,10b''R)- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.674
Molar Refractivity: 193.4±0.4 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 2
ACD/LogP: 2.66
ACD/LogD (pH 5.5): 3.44
ACD/BCF (pH 5.5): 244.63
ACD/KOC (pH 5.5): 1783.62
ACD/LogD (pH 7.4): 3.44
ACD/BCF (pH 7.4): 244.62
ACD/KOC (pH 7.4): 1783.57
Polar Surface Area: 171 Å2
Polarizability: 76.7±0.5 10-24cm3
Surface Tension: 69.3±5.0 dyne/cm
Molar Volume: 515.4±5.0 cm3

Click to predict properties on the Chemicalize site


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