ChemSpider 2D Image | nigrasin G | C30H34O8

nigrasin G

  • Molecular FormulaC30H34O8
  • Average mass522.586 Da
  • Monoisotopic mass522.225342 Da
  • ChemSpider ID26348404

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 3 defined stereocentres

More details:

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

(5aS,10aR)-1,3,8,10a-Tetrahydroxy-5a-[(2E,6E)-10-hydroxy-3,7,11-trimethyl-2,6,11-dodecatrien-1-yl]-5a,10a-dihydro-11H-[1]benzofuro[3,2-b]chromen-11-on [German] [ACD/IUPAC Name]
(5aS,10aR)-1,3,8,10a-Tetrahydroxy-5a-[(2E,6E)-10-hydroxy-3,7,11-trimethyl-2,6,11-dodecatrien-1-yl]-5a,10a-dihydro-11H-[1]benzofuro[3,2-b]chromen-11-one [ACD/IUPAC Name]
(5aS,10aR)-1,3,8,10a-Tétrahydroxy-5a-[(2E,6E)-10-hydroxy-3,7,11-triméthyl-2,6,11-dodécatrién-1-yl]-5a,10a-dihydro-11H-[1]benzofuro[3,2-b]chromén-11-one [French] [ACD/IUPAC Name]
(5aS,10aR)-5a,10a-Dihydro-1,3,8,10a-tetrahydroxy-5a-[(2E,6E)-10-hydroxy-3,7,11-trimethyl-2,6,11-dodecatrien-1-yl]-11H-benzofuro[3,2-b][1]benzopyran-11-one
11H-Benzofuro[3,2-b][1]benzopyran-11-one, 5a,10a-dihydro-1,3,8,10a-tetrahydroxy-5a-[(2E,6E)-10-hydroxy-3,7,11-trimethyl-2,6,11-dodecatrien-1-yl]-, (5aS,10aR)- [ACD/Index Name]
1283095-32-8 [RN]
nigrasin G
(5aS,10aR)-1,3,8,10a-tetrahydroxy-5a-[(2E,6E)-10-hydroxy-3,7,11-trimethyldodeca-2,6,11-trien-1-yl]-5a,10a-dihydro-11H-[1]benzofuro[3,2-b]chromen-11-one
  • Miscellaneous

    • Chemical Class:

      An extended flavonoid that is 5a,10a-dihydro-11<element>H</element>-[1]benzofuro[3,2-<ital>b</ital>]chromen-11-one substituted by hydroxy groups at positions 1, 3, 8 and 10a and a 3-hydroxy-2,6,10-tri methyldodeca-1,6,10-trien-12-yl group at position 5a. It has been isolated from the twigs of <ital>Morus nigra</ital>. ChEBI CHEBI:68018
      An extended flavonoid that is 5a,10a-dihydro-11H-[1]benzofuro[3,2-b]chromen-11-one substituted by hydroxy groups at positions 1, 3, 8 and 10a and a 3-hydroxy-2,6,10-tri; methyldodeca-1,6,10-trien-12-y l group at position 5a. It has been isolated from the twigs of Morus nigra. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:68018
      An extended flavonoid that is 5a,10a-dihydro-11H-[1]benzofuro[3,2-b]chromen-11-one substituted by hydroxy groups at positions 1, 3, 8 and 10a and a 3-hydroxy-2,6,10-trimethyldodeca-1,6,10-trien-12-yl group at position 5a. It has been isolated from the twigs of Morus nigra. ChEBI CHEBI:68018

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

Density: 1.3±0.1 g/cm3
Boiling Point: 758.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 116.0±3.0 kJ/mol
Flash Point: 248.7±26.4 °C
Index of Refraction: 1.643
Molar Refractivity: 141.9±0.3 cm3
#H bond acceptors: 8
#H bond donors: 5
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: 7.35
ACD/LogD (pH 5.5): 6.58
ACD/BCF (pH 5.5): 57458.23
ACD/KOC (pH 5.5): 86798.05
ACD/LogD (pH 7.4): 5.65
ACD/BCF (pH 7.4): 6868.82
ACD/KOC (pH 7.4): 10376.24
Polar Surface Area: 137 Å2
Polarizability: 56.2±0.5 10-24cm3
Surface Tension: 62.9±3.0 dyne/cm
Molar Volume: 392.5±3.0 cm3

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