ChemSpider 2D Image | Stigmatellin | C30H42O7

Stigmatellin

  • Molecular FormulaC30H42O7
  • Average mass514.650 Da
  • Monoisotopic mass514.293030 Da
  • ChemSpider ID394850
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 4 defined stereocentres


More details:






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

2-[(3S,4S,5S,6S,7E,9E,11E)-4,6-Dimethoxy-3,5,11-trimethyl-7,9,11-tridecatrien-1-yl]-8-hydroxy-5,7-dimethoxy-3-methyl-4H-chromen-4-on [German] [ACD/IUPAC Name]
2-[(3S,4S,5S,6S,7E,9E,11E)-4,6-Dimethoxy-3,5,11-trimethyl-7,9,11-tridecatrien-1-yl]-8-hydroxy-5,7-dimethoxy-3-methyl-4H-chromen-4-one [ACD/IUPAC Name]
2-[(3S,4S,5S,6S,7E,9E,11E)-4,6-Diméthoxy-3,5,11-triméthyl-7,9,11-tridécatrién-1-yl]-8-hydroxy-5,7-diméthoxy-3-méthyl-4H-chromén-4-one [French] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 2-[(3S,4S,5S,6S,7E,9E,11E)-4,6-dimethoxy-3,5,11-trimethyl-7,9,11-tridecatrien-1-yl]-8-hydroxy-5,7-dimethoxy-3-methyl- [ACD/Index Name]
Stigmatellin [Wiki]
stigmatellin a
2-[(3S,4S,5S,6S,7E,9E,11E)-4,6-dimethoxy-3,5,11-trimethyltrideca-7,9,11-trien-1-yl]-8-hydroxy-5,7-dimethoxy-3-methyl-4H-chromen-4-one
2-[(3S,4S,5S,6S,7E,9E,11E)-4,6-Dimethoxy-3,5,11-trimethyltrideca-7,9,11-trienyl]-8-hydroxy-5,7-dimethoxy-3-methylchromen-4-one
91682-96-1 [RN]
94234-27-2 [RN]

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

C12148 [DBID]
nchembio.94-comp31 [DBID]
  • Miscellaneous
    • Chemical Class:

      A member of the class of chromones that is isolated from <ital>Stigmatella aurantiaca</ital> Sg a15. ChEBI CHEBI:32155

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 635.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 97.3±3.0 kJ/mol
Flash Point: 198.1±25.0 °C
Index of Refraction: 1.528
Molar Refractivity: 146.5±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 5.26
ACD/LogD (pH 5.5): 4.92
ACD/BCF (pH 5.5): 3226.62
ACD/KOC (pH 5.5): 11299.84
ACD/LogD (pH 7.4): 4.90
ACD/BCF (pH 7.4): 3064.12
ACD/KOC (pH 7.4): 10730.76
Polar Surface Area: 83 Å2
Polarizability: 58.1±0.5 10-24cm3
Surface Tension: 38.2±3.0 dyne/cm
Molar Volume: 476.1±3.0 cm3

Click to predict properties on the Chemicalize site





Feedback Form