ChemSpider 2D Image | Dimethyl (5bS,7S,7aR,7bR,14bS)-4,7,13-trihydroxy-2,11-dimethyl-5,14-dioxo-7,7a,7b,8,14,14b-hexahydro-6,9,15-trioxanaphtho[2',3':2,3]pentaleno[1,6-ab]anthracene-5b,7(5H)-dicarboxylate | C30H24O12

Dimethyl (5bS,7S,7aR,7bR,14bS)-4,7,13-trihydroxy-2,11-dimethyl-5,14-dioxo-7,7a,7b,8,14,14b-hexahydro-6,9,15-trioxanaphtho[2',3':2,3]pentaleno[1,6-ab]anthracene-5b,7(5H)-dicarboxylate

  • Molecular FormulaC30H24O12
  • Average mass576.504 Da
  • Monoisotopic mass576.126770 Da
  • ChemSpider ID35516761

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(5bS,7S,7aR,7bR,14bS)-4,7,13-Trihydroxy-2,11-diméthyl-5,14-dioxo-7,7a,7b,8,14,14b-hexahydro-6,9,15-trioxanaphto[2',3':2,3]pentaléno[1,6-ab]anthracène-5b,7(5H)-dicarboxylate de diméthyle [French] [ACD/IUPAC Name]
Dimethyl (5bS,7S,7aR,7bR,14bS)-4,7,13-trihydroxy-2,11-dimethyl-5,14-dioxo-7,7a,7b,8,14,14b-hexahydro-6,9,15-trioxanaphtho[2',3':2,3]pentaleno[1,6-ab]anthracene-5b,7(5H)-dicarboxylate [ACD/IUPAC Name]
Dimethyl-(5bS,7S,7aR,7bR,14bS)-4,7,13-trihydroxy-2,11-dimethyl-5,14-dioxo-7,7a,7b,8,14,14b-hexahydro-6,9,15-trioxanaphtho[2',3':2,3]pentaleno[1,6-ab]anthracen-5b,7(5H)-dicarboxylat [German] [ACD/IUPAC Name]
571194-06-4 [RN]
CID 155859171
dimethyl (1S,12S,14S,15R,27R)-8,14,23-trihydroxy-6,21-dimethyl-10,25-dioxo-3,13,18-trioxaheptacyclo[13.11.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),4,6,8,17(26),19,21,23-octaene-12,14-dicarboxylate
remisporine B

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

Density: 1.7±0.1 g/cm3
Boiling Point: 793.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 121.1±3.0 kJ/mol
Flash Point: 264.6±26.4 °C
Index of Refraction: 1.730
Molar Refractivity: 137.2±0.4 cm3
#H bond acceptors: 12
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 3
ACD/LogP: 5.72
ACD/LogD (pH 5.5): 5.04
ACD/BCF (pH 5.5): 3958.19
ACD/KOC (pH 5.5): 12929.30
ACD/LogD (pH 7.4): 4.22
ACD/BCF (pH 7.4): 600.39
ACD/KOC (pH 7.4): 1961.16
Polar Surface Area: 175 Å2
Polarizability: 54.4±0.5 10-24cm3
Surface Tension: 90.7±5.0 dyne/cm
Molar Volume: 343.7±5.0 cm3

Click to predict properties on the Chemicalize site


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