ChemSpider 2D Image | (1aR,3S,3aS,5bR,6S,8R,8aR,10aR,11S,11aS,11bS)-6,8-Diacetoxy-3-(3-furyl)-3a,5b,8a,11a-tetramethyl-2-oxohexadecahydro-1aH-oxireno[2',3']cyclopenta[1',2':7,8]phenanthro[10,1-bc]furan-11-yl 2-methylbutano ate | C35H46O10

(1aR,3S,3aS,5bR,6S,8R,8aR,10aR,11S,11aS,11bS)-6,8-Diacetoxy-3-(3-furyl)-3a,5b,8a,11a-tetramethyl-2-oxohexadecahydro-1aH-oxireno[2',3']cyclopenta[1',2':7,8]phenanthro[10,1-bc]furan-11-yl 2-methylbutano ate

  • Molecular FormulaC35H46O10
  • Average mass626.734 Da
  • Monoisotopic mass626.309082 Da
  • ChemSpider ID28287927

  • defined stereocentres - 11 of 14 defined stereocentres

More details:

Featured data source
Natural Product Updates

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

(1aR,3S,3aS,5bR,6S,8R,8aR,10aR,11S,11aS,11bS)-6,8-Diacetoxy-3-(3-furyl)-3a,5b,8a,11a-tetramethyl-2-oxohexadecahydro-1aH-oxireno[2',3']cyclopenta[1',2':7,8]phenanthro[10,1-bc]furan-11-yl 2-methylbutano ate [ACD/IUPAC Name]
(1aR,3S,3aS,5bR,6S,8R,8aR,10aR,11S,11aS,11bS)-6,8-Diacetoxy-3-(3-furyl)-3a,5b,8a,11a-tetramethyl-2-oxohexadecahydro-1aH-oxireno[2',3']cyclopenta[1',2':7,8]phenanthro[10,1-bc]furan-11-yl-2-methylbutano at [German] [ACD/IUPAC Name]
2-Méthylbutanoate de (1aR,3S,3aS,5bR,6S,8R,8aR,10aR,11S,11aS,11bS)-6,8-diacétoxy-3-(3-furyl)-3a,5b,8a,11a-tétraméthyl-2-oxohexadécahydro-1aH-oxiréno[2',3']cyclopenta[1',2':7,8]phénanthro[10,1-bc]furan -11-yle [French] [ACD/IUPAC Name]
Butanoic acid, 2-methyl-, (1aR,3S,3aS,5bR,6S,8R,8aR,10aR,11S,11aS,11bS)-6,8-bis(acetyloxy)-3-(3-furanyl)hexadecahydro-3a,5b,8a,11a-tetramethyl-2-oxo-3H-oxireno[2',3']cyclopenta[1',2':7,8]phenanthro[10 ,1-bc]furan-11-yl ester [ACD/Index Name]
cipadesin M

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

Density: 1.3±0.1 g/cm3
Boiling Point: 661.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 97.3±3.0 kJ/mol
Flash Point: 353.8±31.5 °C
Index of Refraction: 1.568
Molar Refractivity: 159.5±0.4 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 4.12
ACD/LogD (pH 5.5): 4.01
ACD/BCF (pH 5.5): 661.79
ACD/KOC (pH 5.5): 3636.41
ACD/LogD (pH 7.4): 4.01
ACD/BCF (pH 7.4): 661.79
ACD/KOC (pH 7.4): 3636.41
Polar Surface Area: 131 Å2
Polarizability: 63.2±0.5 10-24cm3
Surface Tension: 51.9±5.0 dyne/cm
Molar Volume: 487.9±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement