ChemSpider 2D Image | 7',15'-Dihydroxy-18'-(1-hydroxyethyl)-6',14',26'-trimethyl-12'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[13,19,21]triene]-12',23'-dione | C29H38O11

7',15'-Dihydroxy-18'-(1-hydroxyethyl)-6',14',26'-trimethyl-12'H,23'H-spiro[oxirane-2,27'-[2,5,11,17,24]pentaoxapentacyclo[23.2.1.03,9.04,6.09,26]octacosa[13,19,21]triene]-12',23'-dione

  • Molecular FormulaC29H38O11
  • Average mass562.605 Da
  • Monoisotopic mass562.241394 Da
  • ChemSpider ID4585611

  • Double-bond stereo - Double-bond stereo

More details:

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

7',15'-Dihydroxy-18'-(1-hydroxyethyl)-6',14',26'-trimethyl-12'H,23'H-spiro[oxirane-2,27'-[2,5,11,17,24]pentaoxapentacyclo[23.2.1.03,9.04,6.09,26]octacosa[13,19,21]triene]-12',23'-dione [ACD/IUPAC Name]
BACCHARINOID B-13,9-β,10-β-EPOXY

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

NSC374341 [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: 842.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 139.2±6.0 kJ/mol
Flash Point: 277.8±27.8 °C
Index of Refraction: 1.614
Molar Refractivity: 138.7±0.4 cm3
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 2
ACD/LogP: -1.31
ACD/LogD (pH 5.5): -0.48
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 13.09
ACD/LogD (pH 7.4): -0.48
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 13.09
Polar Surface Area: 157 Å2
Polarizability: 55.0±0.5 10-24cm3
Surface Tension: 64.1±5.0 dyne/cm
Molar Volume: 398.0±5.0 cm3

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