ChemSpider 2D Image | (5S,6S,7S)-6,10-Dihydroxy-1,2,3,11,12-pentamethoxy-6,7-dimethyl-5,6,7,8-tetrahydrodibenzo[a,c][8]annulen-5-yl benzoate | C30H34O9

(5S,6S,7S)-6,10-Dihydroxy-1,2,3,11,12-pentamethoxy-6,7-dimethyl-5,6,7,8-tetrahydrodibenzo[a,c][8]annulen-5-yl benzoate

  • Molecular FormulaC30H34O9
  • Average mass538.586 Da
  • Monoisotopic mass538.220276 Da
  • ChemSpider ID35308416

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(5S,6S,7S)-6,10-Dihydroxy-1,2,3,11,12-pentamethoxy-6,7-dimethyl-5,6,7,8-tetrahydrodibenzo[a,c][8]annulen-5-yl benzoate [ACD/IUPAC Name]
(5S,6S,7S)-6,10-Dihydroxy-1,2,3,11,12-pentamethoxy-6,7-dimethyl-5,6,7,8-tetrahydrodibenzo[a,c][8]annulen-5-yl-benzoat [German] [ACD/IUPAC Name]
Benzoate de (5S,6S,7S)-6,10-dihydroxy-1,2,3,11,12-pentaméthoxy-6,7-diméthyl-5,6,7,8-tétrahydrodibenzo[a,c][8]annulén-5-yle [French] [ACD/IUPAC Name]
Dibenzo[a,c]cyclooctene-3,7,8-triol, 5,6,7,8-tetrahydro-1,2,10,11,12-pentamethoxy-6,7-dimethyl-, 8-benzoate, (6S,7S,8S)- [ACD/Index Name]
64917-83-5 [RN]
MFCD28411507
Schisantherin E
Schisantherin-E
Schisantherin-E;Schizantherin-E
Schizantherin-E

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

Density: 1.3±0.1 g/cm3
Boiling Point: 692.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 106.5±3.0 kJ/mol
Flash Point: 223.1±25.0 °C
Index of Refraction: 1.614
Molar Refractivity: 143.2±0.4 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 5.26
ACD/LogD (pH 5.5): 4.34
ACD/BCF (pH 5.5): 1161.98
ACD/KOC (pH 5.5): 5440.44
ACD/LogD (pH 7.4): 4.33
ACD/BCF (pH 7.4): 1137.67
ACD/KOC (pH 7.4): 5326.64
Polar Surface Area: 113 Å2
Polarizability: 56.8±0.5 10-24cm3
Surface Tension: 59.4±5.0 dyne/cm
Molar Volume: 411.2±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement