ChemSpider 2D Image | 13'-Hydroxy-6'-(hydroxymethyl)-14',26'-dimethyl-12'H,18'H,23'H-spiro[oxirane-2,27'-[2,5,11,17,24]pentaoxapentacyclo[23.2.1.0~3,9~.0~4,6~.0~9,26~]octacosa[19,21]diene]-12',18',23'-trione | C27H34O11

13'-Hydroxy-6'-(hydroxymethyl)-14',26'-dimethyl-12'H,18'H,23'H-spiro[oxirane-2,27'-[2,5,11,17,24]pentaoxapentacyclo[23.2.1.03,9.04,6.09,26]octacosa[19,21]diene]-12',18',23'-trione

  • Molecular FormulaC27H34O11
  • Average mass534.552 Da
  • Monoisotopic mass534.210083 Da
  • ChemSpider ID4585329

  • Double-bond stereo - Double-bond stereo

More details:

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

13'-Hydroxy-6'-(hydroxymethyl)-14',26'-dimethyl-12'H,18'H,23'H-spiro[oxirane-2,27'-[2,5,11,17,24]pentaoxapentacyclo[23.2.1.03,9.04,6.09,26]octacosa[19,21]diene]-12',18',23'-trione [ACD/IUPAC Name]
16-Hydroxy-9B, 10B-epoxyverrucarin A
87532-32-9 [RN]
VERRUCARIN A, 16-HYDROXY-9B,10B-EPOXY
Verrucarin A, 9,10-epoxy-9,10-dihydro-16-hydroxy-, (9β, 10β)-

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

NSC327991 [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 808.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.5 mmHg at 25°C
Enthalpy of Vaporization: 133.8±6.0 kJ/mol
Flash Point: 271.1±27.8 °C
Index of Refraction: 1.609
Molar Refractivity: 128.4±0.4 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 2
ACD/LogP: -2.04
ACD/LogD (pH 5.5): -0.60
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 11.25
ACD/LogD (pH 7.4): -0.60
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 11.25
Polar Surface Area: 154 Å2
Polarizability: 50.9±0.5 10-24cm3
Surface Tension: 65.2±5.0 dyne/cm
Molar Volume: 371.0±5.0 cm3

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