ChemSpider 2D Image | 6,12,13-Trihydroxy-9-isopropylidene-3,3-dimethyl-5-(3-methyl-2-buten-1-yl)-8,9-dihydro-3H,7H-pyrano[2',3':7,8]chromeno[3,2-d][1]benzoxepin-7-one | C30H30O7

6,12,13-Trihydroxy-9-isopropylidene-3,3-dimethyl-5-(3-methyl-2-buten-1-yl)-8,9-dihydro-3H,7H-pyrano[2',3':7,8]chromeno[3,2-d][1]benzoxepin-7-one

  • Molecular FormulaC30H30O7
  • Average mass502.555 Da
  • Monoisotopic mass502.199158 Da
  • ChemSpider ID30776774

More details:

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

3H,7H-Pyrano[2',3':7,8][1]benzopyrano[3,2-d][1]benzoxepin-7-one, 8,9-dihydro-6,12,13-trihydroxy-3,3-dimethyl-5-(3-methyl-2-buten-1-yl)-9-(1-methylethylidene)- [ACD/Index Name]
49794-94-7 [RN]
6,12,13-Trihydroxy-9-isopropyliden-3,3-dimethyl-5-(3-methyl-2-buten-1-yl)-8,9-dihydro-3H,7H-pyrano[2',3':7,8]chromeno[3,2-d][1]benzoxepin-7-on [German] [ACD/IUPAC Name]
6,12,13-Trihydroxy-9-isopropylidene-3,3-dimethyl-5-(3-methyl-2-buten-1-yl)-8,9-dihydro-3H,7H-pyrano[2',3':7,8]chromeno[3,2-d][1]benzoxepin-7-one [ACD/IUPAC Name]
6,12,13-Trihydroxy-9-isopropylidène-3,3-diméthyl-5-(3-méthyl-2-butén-1-yl)-8,9-dihydro-3H,7H-pyrano[2',3':7,8]chroméno[3,2-d][1]benzoxépin-7-one [French] [ACD/IUPAC Name]
11,20,21-trihydroxy-7,7-dimethyl-10-(3-methylbut-2-en-1-yl)-16-(propan-2-ylidene)-2,8,17-trioxapentacyclo[12.9.0.0??,????.0?,?.0???,????]tricosa-1(14),3,5,9,11,18,20,22-octaen-13-one
11,20,21-trihydroxy-7,7-dimethyl-10-(3-methylbut-2-en-1-yl)-16-(propan-2-ylidene)-2,8,17-trioxapentacyclo[12.9.0.0³,¹².0⁴,⁹.0¹⁸,²³]tricosa-1(14),3,5,9,11,18,20,22-octaen-13-one
Isocycloheterophyllin

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

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

Density: 1.4±0.1 g/cm3
Boiling Point: 747.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 112.8±3.0 kJ/mol
Flash Point: 248.5±26.4 °C
Index of Refraction: 1.681
Molar Refractivity: 137.1±0.4 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 2
ACD/LogP: 7.51
ACD/LogD (pH 5.5): 6.66
ACD/BCF (pH 5.5): 68116.52
ACD/KOC (pH 5.5): 100034.04
ACD/LogD (pH 7.4): 6.43
ACD/BCF (pH 7.4): 40096.64
ACD/KOC (pH 7.4): 58884.82
Polar Surface Area: 105 Å2
Polarizability: 54.3±0.5 10-24cm3
Surface Tension: 68.1±5.0 dyne/cm
Molar Volume: 362.5±5.0 cm3

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