ChemSpider 2D Image | (4aS,7aS,8aR,9R,9aR,12aS,13aR,13bR,13cR)-10-(3-Furyl)-12a-hydroxy-4a,9a,13b-trimethyl-13-methylene-2,6,12-trioxohexadecahydro-2H,6H-indeno[5',6':4,5]furo[3,2-d]pyrano[3,4-b]oxepin-9-yl (3R)-2-hydroxy- 3-methylpentanoate | C32H40O11

(4aS,7aS,8aR,9R,9aR,12aS,13aR,13bR,13cR)-10-(3-Furyl)-12a-hydroxy-4a,9a,13b-trimethyl-13-methylene-2,6,12-trioxohexadecahydro-2H,6H-indeno[5',6':4,5]furo[3,2-d]pyrano[3,4-b]oxepin-9-yl (3R)-2-hydroxy- 3-methylpentanoate

  • Molecular FormulaC32H40O11
  • Average mass600.653 Da
  • Monoisotopic mass600.257080 Da
  • ChemSpider ID135066

  • defined stereocentres - 10 of 12 defined stereocentres

More details:

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

(3R)-2-Hydroxy-3-méthylpentanoate de (4aS,7aS,8aR,9R,9aR,12aS,13aR,13bR,13cR)-10-(3-furyl)-12a-hydroxy-4a,9a,13b-triméthyl-13-méthylène-2,6,12-trioxohexadécahydro-2H,6H-indéno[5',6':4,5]furo[3,2-d]pyr ano[3,4-b]oxépin-9-yle [French] [ACD/IUPAC Name]
(4aS,7aS,8aR,9R,9aR,12aS,13aR,13bR,13cR)-10-(3-Furyl)-12a-hydroxy-4a,9a,13b-trimethyl-13-methylen-2,6,12-trioxohexadecahydro-2H,6H-indeno[5',6':4,5]furo[3,2-d]pyrano[3,4-b]oxepin-9-yl-(3R)-2-hydroxy-3 -methylpentanoat [German] [ACD/IUPAC Name]
(4aS,7aS,8aR,9R,9aR,12aS,13aR,13bR,13cR)-10-(3-Furyl)-12a-hydroxy-4a,9a,13b-trimethyl-13-methylene-2,6,12-trioxohexadecahydro-2H,6H-indeno[5',6':4,5]furo[3,2-d]pyrano[3,4-b]oxepin-9-yl (3R)-2-hydroxy- 3-methylpentanoate [ACD/IUPAC Name]
Pentanoic acid, 2-hydroxy-3-methyl-, (4aS,7aS,8aR,9R,9aR,12aS,13aR,13bR,13cR)-10-(3-furanyl)hexadecahydro-12a-hydroxy-4a,9a,13b-trimethyl-13-methylene-2,6,12-trioxo-2H,6H-indeno[5',6':4,5]furo[3,2-d]p yrano[3,4-b]oxepin-9-yl ester, (3R)- [ACD/Index Name]
70266-36-3 [RN]
Pentanoic acid, 2-hydroxy-3-methyl-, (4aS,7aS,8aR,9R,9aR,10S,12aS,13aR,13bR,13cR)-10-(3-furanyl)hexadecahydro-12a-hydroxy-4a,9a,13b-trimethyl-13-methylene-2,6,12-trioxo-2H,6H-cyclopenta(f)pyrano(4',3':6,7)oxepino(4,5-b)benzofuran-9-yl ester, (2R,3R)-
Rohituka 3

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

Density: 1.4±0.1 g/cm3
Boiling Point: 772.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 118.0±3.0 kJ/mol
Flash Point: 421.3±32.9 °C
Index of Refraction: 1.588
Molar Refractivity: 148.6±0.4 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 0.95
ACD/LogD (pH 5.5): 1.19
ACD/BCF (pH 5.5): 4.69
ACD/KOC (pH 5.5): 105.22
ACD/LogD (pH 7.4): 1.19
ACD/BCF (pH 7.4): 4.69
ACD/KOC (pH 7.4): 105.22
Polar Surface Area: 159 Å2
Polarizability: 58.9±0.5 10-24cm3
Surface Tension: 59.2±5.0 dyne/cm
Molar Volume: 441.2±5.0 cm3

Click to predict properties on the Chemicalize site


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