ChemSpider 2D Image | Gigantrionenin | C37H66O6

Gigantrionenin

  • Molecular FormulaC37H66O6
  • Average mass606.916 Da
  • Monoisotopic mass606.485962 Da
  • ChemSpider ID4580430

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(5S)-5-Methyl-3-(7-{(2R,5S)-5-[(1S,4R,5R,8Z)-1,4,5-trihydroxy-8-henicosen-1-yl]tetrahydro-2-furanyl}heptyl)-2(5H)-furanon [German] [ACD/IUPAC Name]
(5S)-5-Methyl-3-(7-{(2R,5S)-5-[(1S,4R,5R,8Z)-1,4,5-trihydroxy-8-henicosen-1-yl]tetrahydro-2-furanyl}heptyl)-2(5H)-furanone [ACD/IUPAC Name]
(5S)-5-Méthyl-3-(7-{(2R,5S)-5-[(1S,4R,5R,8Z)-1,4,5-trihydroxy-8-hénicosén-1-yl]tétrahydro-2-furanyl}heptyl)-2(5H)-furanone [French] [ACD/IUPAC Name]
2(5H)-Furanone, 5-methyl-3-[7-[(2R,5S)-tetrahydro-5-[(1S,4R,5R,8Z)-1,4,5-trihydroxy-8-heneicosen-1-yl]-2-furanyl]heptyl]-, (5S)- [ACD/Index Name]
Gigantrionenin
(5S)-5-methyl-3-(7-{(2R,5S)-5-[(1S,4R,5R,8Z)-1,4,5-trihydroxyhenicos-8-en-1-yl]tetrahydrofuran-2-yl}heptyl)furan-2(5H)-one
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL501337/

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

NSC695398 [DBID]
  • Miscellaneous

    • Chemical Class:

      A member of the class of oxolanes that is tetrahydrofuran substituted by a 7-[5-methyl-2-oxo-2,5-dihydrofuran-3-yl]heptyl at position 2 and a 1,4,5-trihydroxyhenicos-8-en-1-yl group at position 5. Iso lated from <ital>Goniothalamus giganteus</ital>, it exhibits cytotoxic activity. ChEBI CHEBI:65963
      A member of the class of oxolanes that is tetrahydrofuran substituted by a 7-[5-methyl-2-oxo-2,5-dihydrofuran-3-yl]heptyl at position 2 and a 1,4,5-trihydroxyhenicos-8-en-1-yl group at position 5. Iso lated from Goniothalamus giganteus, it exhibits cytotoxic activity. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:65963, CHEBI:65963

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

Density: 1.0±0.1 g/cm3
Boiling Point: 748.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.7 mmHg at 25°C
Enthalpy of Vaporization: 124.5±6.0 kJ/mol
Flash Point: 221.3±26.4 °C
Index of Refraction: 1.502
Molar Refractivity: 176.9±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 27
#Rule of 5 Violations: 2
ACD/LogP: 8.60
ACD/LogD (pH 5.5): 9.00
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 1884489.38
ACD/LogD (pH 7.4): 9.00
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 1884489.38
Polar Surface Area: 96 Å2
Polarizability: 70.1±0.5 10-24cm3
Surface Tension: 40.2±3.0 dyne/cm
Molar Volume: 599.5±3.0 cm3

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