ChemSpider 2D Image | (12'Z,18'Z,20'Z)-6'-Hydroxy-5',13',25'-trimethyl-11'H,17'H,22'H-spiro[oxirane-2,26'-[2,10,16,23]tetraoxatetracyclo[22.2.1.0~3,8~.0~8,25~]heptacosa[4,12,18,20]tetraene]-11',17',22'-trione | C27H32O9

(12'Z,18'Z,20'Z)-6'-Hydroxy-5',13',25'-trimethyl-11'H,17'H,22'H-spiro[oxirane-2,26'-[2,10,16,23]tetraoxatetracyclo[22.2.1.03,8.08,25]heptacosa[4,12,18,20]tetraene]-11',17',22'-trione

  • Molecular FormulaC27H32O9
  • Average mass500.538 Da
  • Monoisotopic mass500.204620 Da
  • ChemSpider ID4585390
  • Double-bond stereo - Double-bond stereo


More details:






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

(12'Z,18'Z,20'Z)-6'-Hydroxy-5',13',25'-trimethyl-11'H,17'H,22'H-spiro[oxirane-2,26'-[2,10,16,23]tetraoxatetracyclo[22.2.1.03,8.08,25]heptacosa[4,12,18,20]tetraene]-11',17',22'-trione [ACD/IUPAC Name]
77101-87-2 [RN]
Verrucarin A, 2',3'-didehydro-2'-deoxy-8-hydroxy-, (2'E,8S)-
Verrucarin A, 2',3'-didehydro-2'-deoxy-8-hydroxy-, (2'Z,8R)-
VERRUCARIN J, 8-B-HYDROXY-
VERRUCARIN L

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

NSC336813 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 778.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.1 mmHg at 25°C
Enthalpy of Vaporization: 129.2±6.0 kJ/mol
Flash Point: 262.4±26.4 °C
Index of Refraction: 1.597
Molar Refractivity: 126.6±0.4 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 1
ACD/LogP: 0.35
ACD/LogD (pH 5.5): 1.30
ACD/BCF (pH 5.5): 5.74
ACD/KOC (pH 5.5): 121.55
ACD/LogD (pH 7.4): 1.30
ACD/BCF (pH 7.4): 5.74
ACD/KOC (pH 7.4): 121.55
Polar Surface Area: 121 Å2
Polarizability: 50.2±0.5 10-24cm3
Surface Tension: 57.4±5.0 dyne/cm
Molar Volume: 371.4±5.0 cm3

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