ChemSpider 2D Image | 6,7-Dihydroxy-8-(hydroxymethyl)-16-isopropenyl-2,4,18-trimethyl-14-undecyl-9,13,15,19-tetraoxahexacyclo[12.4.1.0~1,11~.0~2,6~.0~8,10~.0~12,16~]nonadec-3-en-5-one | C33H50O8

6,7-Dihydroxy-8-(hydroxymethyl)-16-isopropenyl-2,4,18-trimethyl-14-undecyl-9,13,15,19-tetraoxahexacyclo[12.4.1.01,11.02,6.08,10.012,16]nonadec-3-en-5-one

  • Molecular FormulaC33H50O8
  • Average mass574.745 Da
  • Monoisotopic mass574.350586 Da
  • ChemSpider ID381028

More details:

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

6,7-Dihydroxy-8-(hydroxymethyl)-16-isopropenyl-2,4,18-trimethyl-14-undecyl-9,13,15,19-tetraoxahexacyclo[12.4.1.01,11.02,6.08,10.012,16]nonadec-3-en-5-on [German] [ACD/IUPAC Name]
6,7-Dihydroxy-8-(hydroxymethyl)-16-isopropenyl-2,4,18-trimethyl-14-undecyl-9,13,15,19-tetraoxahexacyclo[12.4.1.01,11.02,6.08,10.012,16]nonadec-3-en-5-one [ACD/IUPAC Name]
6,7-Dihydroxy-8-(hydroxyméthyl)-16-isopropényl-2,4,18-triméthyl-14-undécyl-9,13,15,19-tétraoxahexacyclo[12.4.1.01,11.02,6.08,10.012,16]nonadéc-3-én-5-one [French] [ACD/IUPAC Name]
6H-2,8b-Epoxyoxireno[6,7]azuleno[5,4-e]-1,3-benzodioxol-6-one, 3a,3b,3c,4a,5,5a,8a,9,10,10a-decahydro-5,5a-dihydroxy-4a-(hydroxymethyl)-7,8a,9-trimethyl-10a-(1-methylethenyl)-2-undecyl- [ACD/Index Name]
BALIOSPERMUM AXILLARE B807430K058

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

AIDS128512 [DBID]
AIDS-128512 [DBID]
NSC282158 [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 682.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.8 mmHg at 25°C
Enthalpy of Vaporization: 114.5±6.0 kJ/mol
Flash Point: 211.4±25.0 °C
Index of Refraction: 1.580
Molar Refractivity: 153.4±0.4 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 8.93
ACD/LogD (pH 5.5): 7.96
ACD/BCF (pH 5.5): 665185.44
ACD/KOC (pH 5.5): 512427.47
ACD/LogD (pH 7.4): 7.96
ACD/BCF (pH 7.4): 665110.19
ACD/KOC (pH 7.4): 512369.50
Polar Surface Area: 118 Å2
Polarizability: 60.8±0.5 10-24cm3
Surface Tension: 53.9±5.0 dyne/cm
Molar Volume: 461.1±5.0 cm3

Click to predict properties on the Chemicalize site


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