ChemSpider 2D Image | (6R,7R,10R,11S,12S,14S,15S,16R,18R)-14-Acetoxy-6-(3-furyl)-15,16-dihydroxy-12-(2-methoxy-2-oxoethyl)-7,11,13,13-tetramethyl-4-oxo-5,17-dioxapentacyclo[13.2.1.0~1,10~.0~2,7~.0~11,16~]octadec-2-en-18-yl 2-methylpropanoate | C33H42O12

(6R,7R,10R,11S,12S,14S,15S,16R,18R)-14-Acetoxy-6-(3-furyl)-15,16-dihydroxy-12-(2-methoxy-2-oxoethyl)-7,11,13,13-tetramethyl-4-oxo-5,17-dioxapentacyclo[13.2.1.01,10.02,7.011,16]octadec-2-en-18-yl 2-methylpropanoate

  • Molecular FormulaC33H42O12
  • Average mass630.679 Da
  • Monoisotopic mass630.267639 Da
  • ChemSpider ID8207523

  • defined stereocentres - 9 of 10 defined stereocentres

More details:

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

(6R,7R,10R,11S,12S,14S,15S,16R,18R)-14-Acetoxy-6-(3-furyl)-15,16-dihydroxy-12-(2-methoxy-2-oxoethyl)-7,11,13,13-tetramethyl-4-oxo-5,17-dioxapentacyclo[13.2.1.01,10.02,7.011,16]octadec-2-en-18-yl 2-methylpropanoate [ACD/IUPAC Name]
(6R,7R,10R,11S,12S,14S,15S,16R,18R)-14-Acetoxy-6-(3-furyl)-15,16-dihydroxy-12-(2-methoxy-2-oxoethyl)-7,11,13,13-tetramethyl-4-oxo-5,17-dioxapentacyclo[13.2.1.01,10.02,7.011,16]octadec-2-en-18-yl -2-methylpropanoat [German] [ACD/IUPAC Name]
2-Méthylpropanoate de (6R,7R,10R,11S,12S,14S,15S,16R,18R)-14-acétoxy-6-(3-furyl)-15,16-dihydroxy-12-(2-méthoxy-2-oxoéthyl)-7,11,13,13-tétraméthyl-4-oxo-5,17-dioxapentacyclo[13.2.1.01,10.02,7.011, 16]octadéc-2-én-18-yle [French] [ACD/IUPAC Name]
4H-10,11a-Methano-2H-benzofuro[2,3-f][2]benzopyran-7-acetic acid, 9-(acetyloxy)-4-(3-furanyl)-4a,5,6,6a,6b,7,8,9,10,10a-decahydro-10,10a-dihydroxy-4a,6b,8,8-tetramethyl-12-(2-methyl-1-oxopropoxy)-2-ox o-, methyl ester, (4R,4aR,6aR,6bS,7S,9S,10S,10aR,12R)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 727.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 111.5±3.0 kJ/mol
Flash Point: 393.7±32.9 °C
Index of Refraction: 1.588
Molar Refractivity: 155.2±0.4 cm3
#H bond acceptors: 12
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 4.06
ACD/LogD (pH 5.5): 3.75
ACD/BCF (pH 5.5): 415.32
ACD/KOC (pH 5.5): 2605.22
ACD/LogD (pH 7.4): 3.75
ACD/BCF (pH 7.4): 415.06
ACD/KOC (pH 7.4): 2603.58
Polar Surface Area: 168 Å2
Polarizability: 61.5±0.5 10-24cm3
Surface Tension: 59.4±5.0 dyne/cm
Molar Volume: 460.8±5.0 cm3

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