ChemSpider 2D Image | O-METHYL-GAMBOGIC ACID METHYL ESTER | C40H48O8

O-METHYL-GAMBOGIC ACID METHYL ESTER

  • Molecular FormulaC40H48O8
  • Average mass656.804 Da
  • Monoisotopic mass656.334900 Da
  • ChemSpider ID21197114

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(2Z)-4-[(1S,2S,8R,17S,19R)-12-Méthoxy-8,21,21-triméthyl-5-(3-méthyl-2-butén-1-yl)-8-(4-méthyl-3-pentén-1-yl)-14,18-dioxo-3,7,20-trioxahexacyclo[15.4.1.02,15.02,19.04,13.06,11]docosa-4(13),5,9,
 11,15-pentaén-19-yl]-2-méthyl-2-buténoate de méthyle [French] [ACD/IUPAC Name]
2752-66-1 [RN]
2-Butenoic acid, 2-methyl-4-[(1R,3aS,5S,11R,14aS)-3a,4,5,7-tetrahydro-8-methoxy-3,3,11-trimethyl-13-(3-methyl-2-buten-1-yl)-11-(4-methyl-3-penten-1-yl)-7,15-dioxo-1,5-methano-1H,3H,11H-furo[3,4-g]pyra no[3,2-b]xanthen-1-yl]-, methyl ester, (2Z)- [ACD/Index Name]
Methyl (2Z)-4-[(1S,2S,8R,17S,19R)-12-methoxy-8,21,21-trimethyl-5-(3-methyl-2-buten-1-yl)-8-(4-methyl-3-penten-1-yl)-14,18-dioxo-3,7,20-trioxahexacyclo[15.4.1.02,15.02,19.04,13.06,11]docosa-4(1 
3),5,9,11,15-pentaen-19-yl]-2-methyl-2-butenoate [ACD/IUPAC Name]
Methyl-(2Z)-4-[(1S,2S,8R,17S,19R)-12-methoxy-8,21,21-trimethyl-5-(3-methyl-2-buten-1-yl)-8-(4-methyl-3-penten-1-yl)-14,18-dioxo-3,7,20-trioxahexacyclo[15.4.1.02,15.02,19.04,13.06,11]docosa-4(1 
3),5,9,11,15-pentaen-19-yl]-2-methyl-2-butenoat [German] [ACD/IUPAC Name]
O-METHYL-GAMBOGIC ACID METHYL ESTER

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

5923P779OJ [DBID]
UNII:5923P779OJ [DBID]
UNII-5923P779OJ [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: 762.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 111.1±3.0 kJ/mol
Flash Point: 309.1±32.9 °C
Index of Refraction: 1.595
Molar Refractivity: 181.6±0.4 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 9.60
ACD/LogD (pH 5.5): 8.26
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 740257.56
ACD/LogD (pH 7.4): 8.26
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 740257.56
Polar Surface Area: 97 Å2
Polarizability: 72.0±0.5 10-24cm3
Surface Tension: 51.4±5.0 dyne/cm
Molar Volume: 534.5±5.0 cm3

Click to predict properties on the Chemicalize site


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