ChemSpider 2D Image | (2Z)-4-[14-Hydroxy-11-isopropenyl-8,23,23-trimethyl-5-(3-methyl-2-buten-1-yl)-16,20-dioxo-3,7,22-trioxaheptacyclo[17.4.1.1~8,12~.0~2,17~.0~2,21~.0~4,15~.0~6,13~]pentacosa-4(15),5,13,17-tetraen-21-yl]- 2-methyl-2-butenoic acid | C38H44O8

(2Z)-4-[14-Hydroxy-11-isopropenyl-8,23,23-trimethyl-5-(3-methyl-2-buten-1-yl)-16,20-dioxo-3,7,22-trioxaheptacyclo[17.4.1.18,12.02,17.02,21.04,15.06,13]pentacosa-4(15),5,13,17-tetraen-21-yl]- 2-methyl-2-butenoic acid

  • Molecular FormulaC38H44O8
  • Average mass628.751 Da
  • Monoisotopic mass628.303589 Da
  • ChemSpider ID8433931

  • Double-bond stereo - Double-bond stereo

More details:

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

(2Z)-4-[14-Hydroxy-11-isopropenyl-8,23,23-trimethyl-5-(3-methyl-2-buten-1-yl)-16,20-dioxo-3,7,22-trioxaheptacyclo[17.4.1.18,12.02,17.02,21.04,15.06,13]pentacosa-4(15),5,13,17-tetraen-21-yl]- 2-methyl-2-butenoic acid [ACD/IUPAC Name]
(2Z)-4-[14-Hydroxy-11-isopropenyl-8,23,23-trimethyl-5-(3-methyl-2-buten-1-yl)-16,20-dioxo-3,7,22-trioxaheptacyclo[17.4.1.18,12.02,17.02,21.04,15.06,13]pentacosa-4(15),5,13,17-tetraen-21-yl]- 2-methyl-2-butensäure [German] [ACD/IUPAC Name]
2-Butenoic acid, 2-methyl-4-[3a,4,5,7,10,11,12,13-octahydro-8-hydroxy-3,3,13-trimethyl-15-(3-methyl-2-buten-1-yl)-10-(1-methylethenyl)-7,18-dioxo-1,5:9,13-dimethano-1H,3H,9H-furo[3,4-g]oxocino[3,2-b]x anthen-1-yl]-, (2Z)- [ACD/Index Name]
Acide (2Z)-4-[14-hydroxy-11-isopropényl-8,23,23-triméthyl-5-(3-méthyl-2-butén-1-yl)-16,20-dioxo-3,7,22-trioxaheptacyclo[17.4.1.18,12.02,17.02,21.04,15.06,13]pentacosa-4(15),5,13,17-tétraén-2 ; 1-yl]-2-méthyl-2-buténoïque [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 771.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 117.8±3.0 kJ/mol
Flash Point: 239.3±26.4 °C
Index of Refraction: 1.632
Molar Refractivity: 169.8±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 9.18
ACD/LogD (pH 5.5): 6.96
ACD/BCF (pH 5.5): 66895.88
ACD/KOC (pH 5.5): 52072.45
ACD/LogD (pH 7.4): 4.66
ACD/BCF (pH 7.4): 336.60
ACD/KOC (pH 7.4): 262.01
Polar Surface Area: 119 Å2
Polarizability: 67.3±0.5 10-24cm3
Surface Tension: 59.9±5.0 dyne/cm
Molar Volume: 476.1±5.0 cm3

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