ChemSpider 2D Image | (1R,2S,3S,7R,8S,9R,13S)-2,7-Dimethyl-8-{[(2Z)-2-methyl-2-butenoyl]oxy}-10-methylene-6,11-dioxotricyclo[7.3.1.0~3,7~]tridec-4-en-13-yl 3-hydroxy-3-methylpentanoate | C27H36O7

(1R,2S,3S,7R,8S,9R,13S)-2,7-Dimethyl-8-{[(2Z)-2-methyl-2-butenoyl]oxy}-10-methylene-6,11-dioxotricyclo[7.3.1.03,7]tridec-4-en-13-yl 3-hydroxy-3-methylpentanoate

  • Molecular FormulaC27H36O7
  • Average mass472.570 Da
  • Monoisotopic mass472.246094 Da
  • ChemSpider ID26636794

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 7 of 8 defined stereocentres

More details:

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

(1R,2S,3S,7R,8S,9R,13S)-2,7-Dimethyl-8-{[(2Z)-2-methyl-2-butenoyl]oxy}-10-methylen-6,11-dioxotricyclo[7.3.1.03,7]tridec-4-en-13-yl-3-hydroxy-3-methylpentanoat [German] [ACD/IUPAC Name]
(1R,2S,3S,7R,8S,9R,13S)-2,7-Dimethyl-8-{[(2Z)-2-methyl-2-butenoyl]oxy}-10-methylene-6,11-dioxotricyclo[7.3.1.03,7]tridec-4-en-13-yl 3-hydroxy-3-methylpentanoate [ACD/IUPAC Name]
3-Hydroxy-3-méthylpentanoate de (1R,2S,3S,7R,8S,9R,13S)-2,7-diméthyl-8-{[(2Z)-2-méthyl-2-butenoyl]oxy}-10-méthylène-6,11-dioxotricyclo[7.3.1.03,7]tridéc-4-én-13-yle [French] [ACD/IUPAC Name]
Pentanoic acid, 3-hydroxy-3-methyl-, (3aS,4S,5R,9R,10S,10aR,11S)-1,3a,4,5,6,7,8,9,10,10a-decahydro-4,10a-dimethyl-8-methylene-10-[[(2Z)-2-methyl-1-oxo-2-buten-1-yl]oxy]-1,7-dioxo-5,9-methanocyclopenta cyclononen-11-yl ester [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 612.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.0 mmHg at 25°C
Enthalpy of Vaporization: 104.2±6.0 kJ/mol
Flash Point: 198.3±25.0 °C
Index of Refraction: 1.544
Molar Refractivity: 125.4±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 3.45
ACD/LogD (pH 5.5): 3.25
ACD/BCF (pH 5.5): 174.76
ACD/KOC (pH 5.5): 1402.03
ACD/LogD (pH 7.4): 3.25
ACD/BCF (pH 7.4): 174.76
ACD/KOC (pH 7.4): 1402.03
Polar Surface Area: 107 Å2
Polarizability: 49.7±0.5 10-24cm3
Surface Tension: 46.7±5.0 dyne/cm
Molar Volume: 397.3±5.0 cm3

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