ChemSpider 2D Image | Tulearin C | C30H52O5

Tulearin C

  • Molecular FormulaC30H52O5
  • Average mass492.731 Da
  • Monoisotopic mass492.381470 Da
  • ChemSpider ID26286038

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 7 of 7 defined stereocentres

More details:

Featured data source
Natural Product Updates

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

(3R,4R,6S,9S,10S,13E,16R,18S)-4,9,10-Trihydroxy-3,6,16-trimethyl-18-[(1E,3E)-2-methyl-1,3-nonadien-1-yl]oxacyclooctadec-13-en-2-on [German] [ACD/IUPAC Name]
(3R,4R,6S,9S,10S,13E,16R,18S)-4,9,10-Trihydroxy-3,6,16-trimethyl-18-[(1E,3E)-2-methyl-1,3-nonadien-1-yl]oxacyclooctadec-13-en-2-one [ACD/IUPAC Name]
(3R,4R,6S,9S,10S,13E,16R,18S)-4,9,10-Trihydroxy-3,6,16-triméthyl-18-[(1E,3E)-2-méthyl-1,3-nonadién-1-yl]oxacyclooctadéc-13-én-2-one [French] [ACD/IUPAC Name]
Oxacyclooctadec-13-en-2-one, 4,9,10-trihydroxy-3,6,16-trimethyl-18-[(1E,3E)-2-methyl-1,3-nonadien-1-yl]-, (3R,4R,6S,9S,10S,13E,16R,18S)- [ACD/Index Name]
Tulearin C

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

Density: 1.0±0.1 g/cm3
Boiling Point: 635.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.2 mmHg at 25°C
Enthalpy of Vaporization: 107.6±6.0 kJ/mol
Flash Point: 195.3±25.0 °C
Index of Refraction: 1.503
Molar Refractivity: 146.7±0.3 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 7.26
ACD/LogD (pH 5.5): 6.42
ACD/BCF (pH 5.5): 44322.48
ACD/KOC (pH 5.5): 73728.64
ACD/LogD (pH 7.4): 6.42
ACD/BCF (pH 7.4): 44322.48
ACD/KOC (pH 7.4): 73728.64
Polar Surface Area: 87 Å2
Polarizability: 58.2±0.5 10-24cm3
Surface Tension: 37.1±3.0 dyne/cm
Molar Volume: 495.9±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement