ChemSpider 2D Image | (5Z)-5-{(2E,4E,6E,8E)-11-[(4R)-4-Hydroxy-2,6,6-trimethyl-1-cyclohexen-1-yl]-2,9-dimethyl-2,4,6,8-undecatetraen-10-yn-1-ylidene}-3-[(6S,7aR)-6-hydroxy-4,4,7a-trimethyl-2,4,5,6,7,7a-hexahydro-1-benzofur an-2-yl]-2(5H)-furanone | C37H46O5

(5Z)-5-{(2E,4E,6E,8E)-11-[(4R)-4-Hydroxy-2,6,6-trimethyl-1-cyclohexen-1-yl]-2,9-dimethyl-2,4,6,8-undecatetraen-10-yn-1-ylidene}-3-[(6S,7aR)-6-hydroxy-4,4,7a-trimethyl-2,4,5,6,7,7a-hexahydro-1-benzofur an-2-yl]-2(5H)-furanone

  • Molecular FormulaC37H46O5
  • Average mass570.758 Da
  • Monoisotopic mass570.334534 Da
  • ChemSpider ID10480950

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 4 defined stereocentres

More details:

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

(5Z)-5-{(2E,4E,6E,8E)-11-[(4R)-4-Hydroxy-2,6,6-trimethyl-1-cyclohexen-1-yl]-2,9-dimethyl-2,4,6,8-undecatetraen-10-in-1-yliden}-3-[(6S,7aR)-6-hydroxy-4,4,7a-trimethyl-2,4,5,6,7,7a-hexahydro-1-benzofura n-2-yl]-2(5H)-furanon [German] [ACD/IUPAC Name]
(5Z)-5-{(2E,4E,6E,8E)-11-[(4R)-4-Hydroxy-2,6,6-trimethyl-1-cyclohexen-1-yl]-2,9-dimethyl-2,4,6,8-undecatetraen-10-yn-1-ylidene}-3-[(6S,7aR)-6-hydroxy-4,4,7a-trimethyl-2,4,5,6,7,7a-hexahydro-1-benzofur an-2-yl]-2(5H)-furanone [ACD/IUPAC Name]
(5Z)-5-{(2E,4E,6E,8E)-11-[(4R)-4-Hydroxy-2,6,6-triméthyl-1-cyclohexén-1-yl]-2,9-diméthyl-2,4,6,8-undécatétraén-10-yn-1-ylidène}-3-[(6S,7aR)-6-hydroxy-4,4,7a-triméthyl-2,4,5,6,7,7a-hexahydro-1-benzofur an-2-yl]-2(5H)-furanone [French] [ACD/IUPAC Name]
2(5H)-Furanone, 3-[(6S,7aR)-2,4,5,6,7,7a-hexahydro-6-hydroxy-4,4,7a-trimethyl-2-benzofuranyl]-5-[(2E,4E,6E,8E)-11-[(4R)-4-hydroxy-2,6,6-trimethyl-1-cyclohexen-1-yl]-2,9-dimethyl-2,4,6,8-undecatetraen- 10-yn-1-ylidene]-, (5Z)- [ACD/Index Name]
(3S,5R,6S,3'R)-5,8-Epoxy-3,3'-dihydroxy-6,7,7',8'-tetradehydro-5,6,7,8-tetrahydro-12',13',20'-trinor-β,β-caroten-19,11-olide
phrrhoxanthinol 5,8-furanoxide
Pyrrhoxanthinol 5,8-furanoxide
Pyrrhoxathinol 5,8-furanoide

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

Density: 1.2±0.0 g/cm3
Boiling Point: 748.0±0.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.0 mmHg at 25°C
Enthalpy of Vaporization: 124.4±0.0 kJ/mol
Flash Point: 231.3±0.0 °C
Index of Refraction: 1.597
Molar Refractivity: 167.5±0.0 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 4.34
ACD/LogD (pH 5.5): 4.34
ACD/BCF (pH 5.5): 1161.36
ACD/KOC (pH 5.5): 5438.78
ACD/LogD (pH 7.4): 4.34
ACD/BCF (pH 7.4): 1161.36
ACD/KOC (pH 7.4): 5438.78
Polar Surface Area: 76 Å2
Polarizability: 66.4±0.0 10-24cm3
Surface Tension: 50.1±0.0 dyne/cm
Molar Volume: 491.9±0.0 cm3

Click to predict properties on the Chemicalize site


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