ChemSpider 2D Image | TIGLOYLGOMISIN H | C28H36O8

TIGLOYLGOMISIN H

  • Molecular FormulaC28H36O8
  • Average mass500.581 Da
  • Monoisotopic mass500.241028 Da
  • ChemSpider ID4477256
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres


More details:






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

(2E)-2-Méthyl-2-buténoate de (6S,7S)-7-hydroxy-2,3,10,11,12-pentaméthoxy-6,7-diméthyl-5,6,7,8-tétrahydrodibenzo[a,c][8]annulén-1-yle [French] [ACD/IUPAC Name]
(6S,7S)-7-Hydroxy-2,3,10,11,12-pentamethoxy-6,7-dimethyl-5,6,7,8-tetrahydrodibenzo[a,c][8]annulen-1-yl (2E)-2-methyl-2-butenoate [ACD/IUPAC Name]
(6S,7S)-7-Hydroxy-2,3,10,11,12-pentamethoxy-6,7-dimethyl-5,6,7,8-tetrahydrodibenzo[a,c][8]annulen-1-yl-(2E)-2-methyl-2-butenoat [German] [ACD/IUPAC Name]
2-Butenoic acid, 2-methyl-, (6S,7S)-5,6,7,8-tetrahydro-7-hydroxy-2,3,10,11,12-pentamethoxy-6,7-dimethyldibenzo[a,c]cycloocten-1-yl ester, (2E)- [ACD/Index Name]
66069-55-4 [RN]
TIGLOYLGOMISIN H
Angeloylgomisin H

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

563Q173U7G [DBID]
UNII:563Q173U7G [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 656.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 101.5±3.0 kJ/mol
Flash Point: 212.3±25.0 °C
Index of Refraction: 1.539
Molar Refractivity: 137.1±0.3 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 4.92
ACD/LogD (pH 5.5): 4.31
ACD/BCF (pH 5.5): 1103.28
ACD/KOC (pH 5.5): 5242.69
ACD/LogD (pH 7.4): 4.31
ACD/BCF (pH 7.4): 1103.28
ACD/KOC (pH 7.4): 5242.69
Polar Surface Area: 93 Å2
Polarizability: 54.3±0.5 10-24cm3
Surface Tension: 37.7±3.0 dyne/cm
Molar Volume: 437.5±3.0 cm3

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