Found 1 result

Search term: 8092922 (Found by CSID)
ChemSpider 2D Image | (2Z)-4-[12,18-Dihydroxy-8,21,21-trimethyl-5-(3-methyl-2-buten-1-yl)-8-(4-methyl-3-penten-1-yl)-14-oxo-3,7,20-trioxahexacyclo[15.4.1.0~2,15~.0~2,19~.0~4,13~.0~6,11~]docosa-4(13),5,9,11-tetraen-19-yl]-2 -methyl-2-butenoic acid | C38H48O8

(2Z)-4-[12,18-Dihydroxy-8,21,21-trimethyl-5-(3-methyl-2-buten-1-yl)-8-(4-methyl-3-penten-1-yl)-14-oxo-3,7,20-trioxahexacyclo[15.4.1.02,15.02,19.04,13.06,11]docosa-4(13),5,9,11-tetraen-19-yl]-2 -methyl-2-butenoic acid

  • Molecular FormulaC38H48O8
  • Average mass632.783 Da
  • Monoisotopic mass632.334900 Da
  • ChemSpider ID8092922

  • Double-bond stereo - Double-bond stereo

More details:

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

(2Z)-4-[12,18-Dihydroxy-8,21,21-trimethyl-5-(3-methyl-2-buten-1-yl)-8-(4-methyl-3-penten-1-yl)-14-oxo-3,7,20-trioxahexacyclo[15.4.1.02,15.02,19.04,13.06,11]docosa-4(13),5,9,11-tetraen-19-yl]-2
 -methyl-2-butenoic acid [ACD/IUPAC Name]
(2Z)-4-[12,18-Dihydroxy-8,21,21-trimethyl-5-(3-methyl-2-buten-1-yl)-8-(4-methyl-3-penten-1-yl)-14-oxo-3,7,20-trioxahexacyclo[15.4.1.02,15.02,19.04,13.06,11]docosa-4(13),5,9,11-tetraen-19-yl]-2
 -methyl-2-butensäure [German] [ACD/IUPAC Name]
2-Butenoic acid, 4-[3a,4,5,6,6a,7-hexahydro-8,15-dihydroxy-3,3,11-trimethyl-13-(3-methyl-2-buten-1-yl)-11-(4-methyl-3-penten-1-yl)-7-oxo-1,5-methano-1H,3H,11H-furo[3,4-g]pyrano[3,2-b]xanthen-1-yl]-2-m ethyl-, (2Z)- [ACD/Index Name]
Acide (2Z)-4-[12,18-dihydroxy-8,21,21-triméthyl-5-(3-méthyl-2-butén-1-yl)-8-(4-méthyl-3-pentén-1-yl)-14-oxo-3,7,20-trioxahexacyclo[15.4.1.02,15.02,19.04,13.06,11]docosa-4(13),5,9,11-tétraén-19 
-yl]-2-méthyl-2-buténoïque [French] [ACD/IUPAC Name]
TETRAHYDROGAMBOGIC ACID

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

Density: 1.3±0.1 g/cm3
Boiling Point: 796.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 121.4±3.0 kJ/mol
Flash Point: 245.5±26.4 °C
Index of Refraction: 1.621
Molar Refractivity: 173.6±0.4 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 10.59
ACD/LogD (pH 5.5): 8.35
ACD/BCF (pH 5.5): 877608.31
ACD/KOC (pH 5.5): 386503.94
ACD/LogD (pH 7.4): 6.03
ACD/BCF (pH 7.4): 4133.90
ACD/KOC (pH 7.4): 1820.60
Polar Surface Area: 123 Å2
Polarizability: 68.8±0.5 10-24cm3
Surface Tension: 59.0±5.0 dyne/cm
Molar Volume: 493.5±5.0 cm3

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