ChemSpider 2D Image | (-)-(6Z,12E,2S,3S,4R,5R,9S,11S,15R)-5-acetoxy-15-benzoyloxylathyra-6,12-dien-3-ol-14-one | C29H36O6

(-)-(6Z,12E,2S,3S,4R,5R,9S,11S,15R)-5-acetoxy-15-benzoyloxylathyra-6,12-dien-3-ol-14-one

  • Molecular FormulaC29H36O6
  • Average mass480.592 Da
  • Monoisotopic mass480.251190 Da
  • ChemSpider ID34999292

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(-)-(6Z,12E,2S,3S,4R,5R,9S,11S,15R)-5-acetoxy-15-benzoyloxylathyra-6,12-dien-3-ol-14-one
(1aR,2E,4aR,6S,7S,7aR,8R,9Z,11aS)-8-Acetoxy-7-hydroxy-1,1,3,6,9-pentamethyl-4-oxo-1,1a,4,5,6,7,7a,8,11,11a-decahydro-4aH-cyclopenta[a]cyclopropa[f][11]annulen-4a-yl benzoate [ACD/IUPAC Name]
(1aR,2E,4aR,6S,7S,7aR,8R,9Z,11aS)-8-Acetoxy-7-hydroxy-1,1,3,6,9-pentamethyl-4-oxo-1,1a,4,5,6,7,7a,8,11,11a-decahydro-4aH-cyclopenta[a]cyclopropa[f][11]annulen-4a-yl-benzoat [German] [ACD/IUPAC Name]
4H-Cyclopenta[a]cyclopropa[f]cycloundecen-4-one, 8-(acetyloxy)-4a-(benzoyloxy)-1,1a,4a,5,6,7,7a,8,11,11a-decahydro-7-hydroxy-1,1,3,6,9-pentamethyl-, (1aR,2E,4aR,6S,7S,7aR,8R,9Z,11aS)- [ACD/Index Name]
Benzoate de (1aR,2E,4aR,6S,7S,7aR,8R,9Z,11aS)-8-acétoxy-7-hydroxy-1,1,3,6,9-pentaméthyl-4-oxo-1,1a,4,5,6,7,7a,8,11,11a-décahydro-4aH-cyclopenta[a]cyclopropa[f][11]annulén-4a-yle [French] [ACD/IUPAC Name]
(1aR,2E,4aR,6S,7S,7aR,8R,9Z,11aS)-8-(acetyloxy)-7-hydroxy-1,1,3,6,9-pentamethyl-4-oxo-1,1a,4,5,6,7,7a,8,11,11a-decahydro-4aH-cyclopenta[a]cyclopropa[f][11]annulen-4a-yl benzoate
  • Miscellaneous

    • Chemical Class:

      A lathyrane diterpenoid isolated from the roots of <ital>Euphorbia micractina</ital>. ChEBI CHEBI:67701
      A lathyrane diterpenoid isolated from the roots of Euphorbia micractina. ChEBI CHEBI:67701

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

Density: 1.2±0.1 g/cm3
Boiling Point: 582.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 91.6±3.0 kJ/mol
Flash Point: 185.1±23.6 °C
Index of Refraction: 1.574
Molar Refractivity: 131.7±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 6.17
ACD/LogD (pH 5.5): 6.11
ACD/BCF (pH 5.5): 26013.96
ACD/KOC (pH 5.5): 50348.92
ACD/LogD (pH 7.4): 6.11
ACD/BCF (pH 7.4): 26013.96
ACD/KOC (pH 7.4): 50348.92
Polar Surface Area: 90 Å2
Polarizability: 52.2±0.5 10-24cm3
Surface Tension: 49.3±5.0 dyne/cm
Molar Volume: 399.3±5.0 cm3

Click to predict properties on the Chemicalize site


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