ChemSpider 2D Image | hypocrellin D | C30H26O12

hypocrellin D

  • Molecular FormulaC30H26O12
  • Average mass578.520 Da
  • Monoisotopic mass578.142456 Da
  • ChemSpider ID10176671

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

Featured data source
Natural Product Updates

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

(3R,4S)-3-Acetyl-1,4,7-trihydroxy-2,6,10,13-tetramethoxy-4-methyl-4,5-dihydro-3H-naphtho[2',1':6,7]cyclohepta[1,2-a]naphthalene-8,11,12,15-tetrone [ACD/IUPAC Name]
(3R,4S)-3-Acetyl-1,4,7-trihydroxy-2,6,10,13-tetramethoxy-4-methyl-4,5-dihydro-3H-naphtho[2',1':6,7]cyclohepta[1,2-a]naphthalin-8,11,12,15-tetron [German] [ACD/IUPAC Name]
(3R,4S)-3-Acétyl-1,4,7-trihydroxy-2,6,10,13-tétraméthoxy-4-méthyl-4,5-dihydro-3H-naphto[2',1':6,7]cyclohepta[1,2-a]naphtalène-8,11,12,15-tétrone [French] [ACD/IUPAC Name]
3H-Cyclohepta[1,2-a:7,6-a']dinaphthalene-8,11,12,15-tetrone, 3-acetyl-4,5-dihydro-1,4,7-trihydroxy-2,6,10,13-tetramethoxy-4-methyl-, (3R,4S)- [ACD/Index Name]
hypocrellin D
(3R,4S)-3-acetyl-1,4,7-trihydroxy-2,6,10,13-tetramethoxy-4-methyl-4,5-dihydro-3H-cyclohepta[1,2-a:7,6-a']dinaphthalene-8,11,12,15-tetrone
908860-76-4 [RN]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL501376/

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

Density: 1.6±0.1 g/cm3
Boiling Point: 946.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 144.3±3.0 kJ/mol
Flash Point: 313.9±27.8 °C
Index of Refraction: 1.684
Molar Refractivity: 140.1±0.4 cm3
#H bond acceptors: 12
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 2.35
ACD/LogD (pH 5.5): 1.60
ACD/BCF (pH 5.5): 6.19
ACD/KOC (pH 5.5): 75.76
ACD/LogD (pH 7.4): -1.35
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 183 Å2
Polarizability: 55.5±0.5 10-24cm3
Surface Tension: 82.7±5.0 dyne/cm
Molar Volume: 368.9±5.0 cm3

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