ChemSpider 2D Image | 9,19,24-Trihydroxy-13-methoxy-11,17-dimethyl-6,22-dioxaheptacyclo[12.9.1.1~1,16~.1~4,8~.0~2,13~.0~12,26~.0~20,25~]hexacosa-4,8(26),9,11,16(25),17,19-heptaene-3,7,15,21-tetrone | C27H20O10

9,19,24-Trihydroxy-13-methoxy-11,17-dimethyl-6,22-dioxaheptacyclo[12.9.1.11,16.14,8.02,13.012,26.020,25]hexacosa-4,8(26),9,11,16(25),17,19-heptaene-3,7,15,21-tetrone

  • Molecular FormulaC27H20O10
  • Average mass504.442 Da
  • Monoisotopic mass504.105652 Da
  • ChemSpider ID4677847

More details:

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

7H-8,15b-Methano-1H,3H,12H-pyrano[3'',4'',5'':4',5']naphtho[1',2':6,7]cyclohepta[1,2,3-de]-2-benzopyran-3,7,12,15(8H)-tetrone, 8a,15a-dihydro-4,11,16-trihydroxy-8a-methoxy-6,9-dimethyl- [ACD/Index Name]
9,19,24-Trihydroxy-13-methoxy-11,17-dimethyl-6,22-dioxaheptacyclo[12.9.1.11,16.14,8.02,13.012,26.020,25]hexacosa-4,8(26),9,11,16(25),17,19-heptaen-3,7,15,21-tetron [German] [ACD/IUPAC Name]
9,19,24-Trihydroxy-13-methoxy-11,17-dimethyl-6,22-dioxaheptacyclo[12.9.1.11,16.14,8.02,13.012,26.020,25]hexacosa-4,8(26),9,11,16(25),17,19-heptaene-3,7,15,21-tetrone [ACD/IUPAC Name]
9,19,24-Trihydroxy-13-méthoxy-11,17-diméthyl-6,22-dioxaheptacyclo[12.9.1.11,16.14,8.02,13.012,26.020,25]hexacosa-4,8(26),9,11,16(25),17,19-heptaène-3,7,15,21-tétrone [French] [ACD/IUPAC Name]
7551-03-3 [RN]
7H-8,15b-Methano-1H,3H,12H-benzo(de)cyclohepta(1,2-g:3,4,5-d'e')bis(2)benzopyran-3,7,12,15(8H)-tetrone, 8a,15a-dihydro-4,11,16-trihydroxy-8a-methoxy-6,9-dimethyl-, (8R-(8α,8aβ,15aβ,15bα,16S*))-
DESACETYLDUCLAUXIN

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

Density: 1.7±0.1 g/cm3
Boiling Point: 922.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 140.6±3.0 kJ/mol
Flash Point: 318.9±27.8 °C
Index of Refraction: 1.771
Molar Refractivity: 120.6±0.4 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 2
ACD/LogP: 2.98
ACD/LogD (pH 5.5): 3.48
ACD/BCF (pH 5.5): 255.82
ACD/KOC (pH 5.5): 1794.88
ACD/LogD (pH 7.4): 2.46
ACD/BCF (pH 7.4): 24.39
ACD/KOC (pH 7.4): 171.15
Polar Surface Area: 157 Å2
Polarizability: 47.8±0.5 10-24cm3
Surface Tension: 101.4±5.0 dyne/cm
Molar Volume: 289.9±5.0 cm3

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