ChemSpider 2D Image | (1S,6bR,9aS,11R,11bR)-1-(Methoxymethyl)-9a,11b-dimethyl-3,6,9-trioxo-1,6,6b,7,8,9,9a,10,11,11b-decahydro-3H-furo[4,3,2-de]indeno[4,5-h]isochromen-11-yl phenylacetate | C29H28O8

(1S,6bR,9aS,11R,11bR)-1-(Methoxymethyl)-9a,11b-dimethyl-3,6,9-trioxo-1,6,6b,7,8,9,9a,10,11,11b-decahydro-3H-furo[4,3,2-de]indeno[4,5-h]isochromen-11-yl phenylacetate

  • Molecular FormulaC29H28O8
  • Average mass504.528 Da
  • Monoisotopic mass504.178406 Da
  • ChemSpider ID8752827

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(1S,6bR,9aS,11R,11bR)-1-(Methoxymethyl)-9a,11b-dimethyl-3,6,9-trioxo-1,6,6b,7,8,9,9a,10,11,11b-decahydro-3H-furo[4,3,2-de]indeno[4,5-h]isochromen-11-yl phenylacetate [ACD/IUPAC Name]
(1S,6bR,9aS,11R,11bR)-1-(Methoxymethyl)-9a,11b-dimethyl-3,6,9-trioxo-1,6,6b,7,8,9,9a,10,11,11b-decahydro-3H-furo[4,3,2-de]indeno[4,5-h]isochromen-11-yl-phenylacetat [German] [ACD/IUPAC Name]
Benzeneacetic acid, (1S,6bR,9aS,11R,11bR)-1,6,6b,7,8,9,9a,10,11,11b-decahydro-1-(methoxymethyl)-9a,11b-dimethyl-3,6,9-trioxo-3H-furo[4,3,2-de]indeno[4,5-h]-2-benzopyran-11-yl ester [ACD/Index Name]
Phénylacétate de (1S,6bR,9aS,11R,11bR)-1-(méthoxyméthyl)-9a,11b-diméthyl-3,6,9-trioxo-1,6,6b,7,8,9,9a,10,11,11b-décahydro-3H-furo[4,3,2-de]indéno[4,5-h]isochromén-11-yle [French] [ACD/IUPAC Name]
Phenyl-acetic acid (3aS,5R,5bR,6S,11bR)-6-methoxymethyl-3a,5b-dimethyl-3,8,11-trioxo-2,3,3a,4,5,5b,11,11b-octahydro-1H,6H,8H-7,10-dioxa-cyclopenta[j]acephenanthrylen-5-yl ester

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

Density: 1.4±0.1 g/cm3
Boiling Point: 690.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 101.1±3.0 kJ/mol
Flash Point: 371.1±31.5 °C
Index of Refraction: 1.621
Molar Refractivity: 128.8±0.4 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 2.61
ACD/LogD (pH 5.5): 3.03
ACD/BCF (pH 5.5): 117.65
ACD/KOC (pH 5.5): 1056.19
ACD/LogD (pH 7.4): 3.03
ACD/BCF (pH 7.4): 117.65
ACD/KOC (pH 7.4): 1056.19
Polar Surface Area: 109 Å2
Polarizability: 51.1±0.5 10-24cm3
Surface Tension: 60.2±5.0 dyne/cm
Molar Volume: 366.4±5.0 cm3

Click to predict properties on the Chemicalize site


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