ChemSpider 2D Image | (+)-chrodrimanin B | C27H32O8

(+)-chrodrimanin B

  • Molecular FormulaC27H32O8
  • Average mass484.538 Da
  • Monoisotopic mass484.209717 Da
  • ChemSpider ID22842356

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

Featured data source
Natural Product Updates

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

(+)-chrodrimanin B
(1S,2S,7aS,8R,9aS,13aR,13bR)-5,8-Dihydroxy-2,7a,10,10,13a-pentamethyl-4,11-dioxo-1,7a,8,9,9a,10,11,13a,13b,14-decahydro-2H,4H-benzo[a]pyrano[3,4-j]xanthen-1-yl acetate [ACD/IUPAC Name]
(1S,2S,7aS,8R,9aS,13aR,13bR)-5,8-Dihydroxy-2,7a,10,10,13a-pentamethyl-4,11-dioxo-1,7a,8,9,9a,10,11,13a,13b,14-decahydro-2H,4H-benzo[a]pyrano[3,4-j]xanthen-1-yl-acetat [German] [ACD/IUPAC Name]
2H,4H-Benzo[a]pyrano[3,4-j]xanthene-4,11(7aH)-dione, 1-(acetyloxy)-1,8,9,9a,10,13a,13b,14-octahydro-5,8-dihydroxy-2,7a,10,10,13a-pentamethyl-, (1S,2S,7aS,8R,9aS,13aR,13bR)- [ACD/Index Name]
Acétate de (1S,2S,7aS,8R,9aS,13aR,13bR)-5,8-dihydroxy-2,7a,10,10,13a-pentaméthyl-4,11-dioxo-1,7a,8,9,9a,10,11,13a,13b,14-décahydro-2H,4H-benzo[a]pyrano[3,4-j]xanthén-1-yle [French] [ACD/IUPAC Name]
chrodrimanin B

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

Density: 1.4±0.1 g/cm3
Boiling Point: 663.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 102.6±3.0 kJ/mol
Flash Point: 221.1±25.0 °C
Index of Refraction: 1.614
Molar Refractivity: 124.3±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.97
ACD/LogD (pH 5.5): 3.77
ACD/BCF (pH 5.5): 431.22
ACD/KOC (pH 5.5): 2676.10
ACD/LogD (pH 7.4): 3.76
ACD/BCF (pH 7.4): 426.04
ACD/KOC (pH 7.4): 2643.94
Polar Surface Area: 119 Å2
Polarizability: 49.3±0.5 10-24cm3
Surface Tension: 61.2±5.0 dyne/cm
Molar Volume: 356.4±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement