Found 9 results

Search term: MF = 'C_{43}H_{55}NO_{8}'
ChemSpider 2D Image | (2S,3R)-3-[(2S,3aS,3bR,5aS,11aR,12S,14S,15bS,15cS,17aS)-12,17a-Dihydroxy-14-isopropenyl-3a,9,9,11,11,15b,15c-heptamethyl-13-oxo-3,3a,3b,4,5,5a,6,9,11,11a,12,13,14,15b,15c,16,17,17a-octadecahydro-2H-[1 ]benzofuro[4',5':6,7]indeno[1,2-b]pyrano[3',4':4,5]cyclopenta[1,2-f]pyrrolo[3,2,1-hi]indol-2-yl]-3-hydroxy-2-methylpropanoic acid | C43H55NO8

(2S,3R)-3-[(2S,3aS,3bR,5aS,11aR,12S,14S,15bS,15cS,17aS)-12,17a-Dihydroxy-14-isopropenyl-3a,9,9,11,11,15b,15c-heptamethyl-13-oxo-3,3a,3b,4,5,5a,6,9,11,11a,12,13,14,15b,15c,16,17,17a-octadecahydro-2H-[1 ]benzofuro[4',5':6,7]indeno[1,2-b]pyrano[3',4':4,5]cyclopenta[1,2-f]pyrrolo[3,2,1-hi]indol-2-yl]-3-hydroxy-2-methylpropanoic acid

  • Molecular FormulaC43H55NO8
  • Average mass713.899 Da
  • Monoisotopic mass713.392761 Da
  • ChemSpider ID24687558

  • defined stereocentres - 12 of 12 defined stereocentres

More details:

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

(2S,3R)-3-[(2S,3aS,3bR,5aS,11aR,12S,14S,15bS,15cS,17aS)-12,17a-Dihydroxy-14-isopropenyl-3a,9,9,11,11,15b,15c-heptamethyl-13-oxo-3,3a,3b,4,5,5a,6,9,11,11a,12,13,14,15b,15c,16,17,17a-octadecahydro-2H-[1 ]benzofuro[4',5':6,7]indeno[1,2-b]pyrano[3',4':4,5]cyclopenta[1,2-f]pyrrolo[3,2,1-hi]indol-2-yl]-3-hydroxy-2-methylpropanoic acid [ACD/IUPAC Name]
(2S,3R)-3-[(2S,3aS,3bR,5aS,11aR,12S,14S,15bS,15cS,17aS)-12,17a-Dihydroxy-14-isopropenyl-3a,9,9,11,11,15b,15c-heptamethyl-13-oxo-3,3a,3b,4,5,5a,6,9,11,11a,12,13,14,15b,15c,16,17,17a-octadecahydro-2H-[1 ]benzofuro[4',5':6,7]indeno[1,2-b]pyrano[3',4':4,5]cyclopenta[1,2-f]pyrrolo[3,2,1-hi]indol-2-yl]-3-hydroxy-2-methylpropansäure [German] [ACD/IUPAC Name]
2H-Benzofuro[4',5':6,7]indeno[1,2-b]pyrano[3',4':4,5]cyclopenta[1,2-f]pyrrolo[3,2,1-hi]indole-2-propanoic acid, 3,3a,3b,4,5,5a,6,9,11,11a,12,13,14,15b,15c,16,17,17a-octadecahydro-β,12,17a-trihydrox y-α,3a,9,9,11,11,15b,15c-octamethyl-14-(1-methylethenyl)-13-oxo-, (αS,βR,2S,3aS,3bR,5aS,11aR,12S,14S,15bS,15cS,17aS)- [ACD/Index Name]
Acide (2S,3R)-3-[(2S,3aS,3bR,5aS,11aR,12S,14S,15bS,15cS,17aS)-12,17a-dihydroxy-14-isopropényl-3a,9,9,11,11,15b,15c-heptaméthyl-13-oxo-3,3a,3b,4,5,5a,6,9,11,11a,12,13,14,15b,15c,16,17,17a-octadécahydro -2H-[1]benzofuro[4',5':6,7]indéno[1,2-b]pyrano[3',4':4,5]cyclopenta[1,2-f]pyrrolo[3,2,1-hi]indol-2-yl]-3-hydroxy-2-méthylpropanoïque [French] [ACD/IUPAC Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL446320/

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.694
Molar Refractivity: 191.0±0.5 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 5.97
ACD/LogD (pH 5.5): 4.39
ACD/BCF (pH 5.5): 613.08
ACD/KOC (pH 5.5): 1434.03
ACD/LogD (pH 7.4): 2.62
ACD/BCF (pH 7.4): 10.43
ACD/KOC (pH 7.4): 24.39
Polar Surface Area: 138 Å2
Polarizability: 75.7±0.5 10-24cm3
Surface Tension: 53.0±7.0 dyne/cm
Molar Volume: 497.3±7.0 cm3

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