Found 6 results

Search term: MF = 'C_{43}H_{60}O_{7}'
ChemSpider 2D Image | (3beta,22beta)-3-[(3-Methoxybenzoyl)oxy]-22-{[(2Z)-2-methyl-2-butenoyl]oxy}olean-12-en-28-oic acid | C43H60O7

(3β,22β)-3-[(3-Methoxybenzoyl)oxy]-22-{[(2Z)-2-methyl-2-butenoyl]oxy}olean-12-en-28-oic acid

  • Molecular FormulaC43H60O7
  • Average mass688.932 Da
  • Monoisotopic mass688.433899 Da
  • ChemSpider ID58136774

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(3β,22β)-3-[(3-Methoxybenzoyl)oxy]-22-{[(2Z)-2-methyl-2-butenoyl]oxy}olean-12-en-28-oic acid [ACD/IUPAC Name]
(3β,22β)-3-[(3-Methoxybenzoyl)oxy]-22-{[(2Z)-2-methyl-2-butenoyl]oxy}olean-12-en-28-säure [German] [ACD/IUPAC Name]
Acide (3β,22β)-3-[(3-méthoxybenzoyl)oxy]-22-{[(2Z)-2-méthyl-2-butenoyl]oxy}oléan-12-én-28-oïque [French] [ACD/IUPAC Name]
Olean-12-en-28-oic acid, 3-[(3-methoxybenzoyl)oxy]-22-[[(2Z)-2-methyl-1-oxo-2-buten-1-yl]oxy]-, (3β,22β)- [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: 724.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 111.0±3.0 kJ/mol
Flash Point: 208.4±26.4 °C
Index of Refraction: 1.569
Molar Refractivity: 194.3±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 12.94
ACD/LogD (pH 5.5): 10.49
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 2748854.50
ACD/LogD (pH 7.4): 8.74
ACD/BCF (pH 7.4): 446436.09
ACD/KOC (pH 7.4): 48473.77
Polar Surface Area: 99 Å2
Polarizability: 77.0±0.5 10-24cm3
Surface Tension: 48.7±5.0 dyne/cm
Molar Volume: 592.7±5.0 cm3

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