ChemSpider 2D Image | (1'R,2S,3'R,8'R,12'S,14'R,19'E,21'E,25'R,26'S)-5',14',26'-Trimethyl-11'H,18'H,23'H-spiro[oxirane-2,27'-[2,10,13,17,24]pentaoxapentacyclo[23.2.1.0~3,8~.0~8,26~.0~12,14~]octacosa[4,19,21]triene]-11',18' ,23'-trione | C27H32O9

(1'R,2S,3'R,8'R,12'S,14'R,19'E,21'E,25'R,26'S)-5',14',26'-Trimethyl-11'H,18'H,23'H-spiro[oxirane-2,27'-[2,10,13,17,24]pentaoxapentacyclo[23.2.1.03,8.08,26.012,14]octacosa[4,19,21]triene]-11',18' ,23'-trione

  • Molecular FormulaC27H32O9
  • Average mass500.538 Da
  • Monoisotopic mass500.204620 Da
  • ChemSpider ID10402857

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(1'R,2S,3'R,8'R,12'S,14'R,19'E,21'E,25'R,26'S)-5',14',26'-Trimethyl-11'H,18'H,23'H-spiro[oxirane-2,27'-[2,10,13,17,24]pentaoxapentacyclo[23.2.1.03,8.08,26.012,14]octacosa[4,19,21]triene]-11',18' ,23'-trione [ACD/IUPAC Name]
2290-11-1 [RN]
UNII-PHV68JZ445
Verrucarin B

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

Density: 1.4±0.0 g/cm3
Boiling Point: 733.7±0.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.0 mmHg at 25°C
Enthalpy of Vaporization: 107.1±0.0 kJ/mol
Flash Point: 311.6±0.0 °C
Index of Refraction: 1.594
Molar Refractivity: 125.1±0.0 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 1
ACD/LogP: -0.07
ACD/LogD (pH 5.5): -0.07
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 21.78
ACD/LogD (pH 7.4): -0.07
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 21.78
Polar Surface Area: 113 Å2
Polarizability: 49.6±0.0 10-24cm3
Surface Tension: 56.0±0.0 dyne/cm
Molar Volume: 368.6±0.0 cm3

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