ChemSpider 2D Image | (4aS,8aR,8bR,9aS,12S,12aS,13S,14aR,14bR)-12-(3-Furyl)-7,13-dihydroxy-6,6,8a,12a-tetramethyl-4,4a,8a,12,12a,13,14,14a-octahydro-3H-oxireno[d]pyrano[4',3':3,3a][2]benzofuro[5,4-f]isochromene-3,8,10(6H,9 aH)-trione | C26H28O10

(4aS,8aR,8bR,9aS,12S,12aS,13S,14aR,14bR)-12-(3-Furyl)-7,13-dihydroxy-6,6,8a,12a-tetramethyl-4,4a,8a,12,12a,13,14,14a-octahydro-3H-oxireno[d]pyrano[4',3':3,3a][2]benzofuro[5,4-f]isochromene-3,8,10(6H,9 aH)-trione

  • Molecular FormulaC26H28O10
  • Average mass500.495 Da
  • Monoisotopic mass500.168243 Da
  • ChemSpider ID28424454

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(4aS,8aR,8bR,9aS,12S,12aS,13S,14aR,14bR)-12-(3-Furyl)-7,13-dihydroxy-6,6,8a,12a-tetramethyl-4,4a,8a,12,12a,13,14,14a-octahydro-3H-oxireno[d]pyrano[4',3':3,3a][2]benzofuro[5,4-f]isochromen-3,8,10(6H,9a H)-trion [German] [ACD/IUPAC Name]
(4aS,8aR,8bR,9aS,12S,12aS,13S,14aR,14bR)-12-(3-Furyl)-7,13-dihydroxy-6,6,8a,12a-tetramethyl-4,4a,8a,12,12a,13,14,14a-octahydro-3H-oxireno[d]pyrano[4',3':3,3a][2]benzofuro[5,4-f]isochromene-3,8,10(6H,9 aH)-trione [ACD/IUPAC Name]
(4aS,8aR,8bR,9aS,12S,12aS,13S,14aR,14bR)-12-(3-Furyl)-7,13-dihydroxy-6,6,8a,12a-tétraméthyl-4,4a,8a,12,12a,13,14,14a-octahydro-3H-oxiréno[d]pyrano[4',3':3,3a][2]benzofuro[5,4-f]isochromène-3,8,10(6H,9 aH)-trione [French] [ACD/IUPAC Name]
1H,3H-Oxireno[c]pyrano[4'',3'':2',3']furo[3',4':5,6]naphtho[1,2-d]pyran-3,8,10(6H,9aH)-trione, 12-(3-furanyl)-4,4a,8a,12,12a,13,14,14a-octahydro-7,13-dihydroxy-6,6,8a,12a-tetramethyl-, (4aS,8aR,8bR,9a S,12S,12aS,13S,14aR,14bR)- [ACD/Index Name]
[120722-04-5] [RN]
120722-04-5 [RN]
12α-hydroxyevodol
12α-Hydroxyevodol
MFCD20260684

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

Density: 1.5±0.1 g/cm3
Boiling Point: 780.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 119.1±3.0 kJ/mol
Flash Point: 425.9±32.9 °C
Index of Refraction: 1.649
Molar Refractivity: 118.6±0.4 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 2
ACD/LogP: 1.78
ACD/LogD (pH 5.5): 1.23
ACD/BCF (pH 5.5): 5.11
ACD/KOC (pH 5.5): 111.77
ACD/LogD (pH 7.4): 1.20
ACD/BCF (pH 7.4): 4.72
ACD/KOC (pH 7.4): 103.32
Polar Surface Area: 145 Å2
Polarizability: 47.0±0.5 10-24cm3
Surface Tension: 71.0±5.0 dyne/cm
Molar Volume: 325.8±5.0 cm3

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