ChemSpider 2D Image | (1S,2R,3aR,4R,5S,6E,9S,10S,11S,12E,13aS)-2,5,8,8,12-Pentamethyl-1,2,3,4,5,8,9,10,11,13a-decahydro-3aH-cyclopenta[12]annulene-1,3a,4,9,10,11-hexayl hexaacetate | C32H46O12

(1S,2R,3aR,4R,5S,6E,9S,10S,11S,12E,13aS)-2,5,8,8,12-Pentamethyl-1,2,3,4,5,8,9,10,11,13a-decahydro-3aH-cyclopenta[12]annulene-1,3a,4,9,10,11-hexayl hexaacetate

  • Molecular FormulaC32H46O12
  • Average mass622.700 Da
  • Monoisotopic mass622.298950 Da
  • ChemSpider ID8207407

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(1S,2R,3aR,4R,5S,6E,9S,10S,11S,12E,13aS)-2,5,8,8,12-Pentamethyl-1,2,3,4,5,8,9,10,11,13a-decahydro-3aH-cyclopenta[12]annulen-1,3a,4,9,10,11-hexayl-hexaacetat [German] [ACD/IUPAC Name]
(1S,2R,3aR,4R,5S,6E,9S,10S,11S,12E,13aS)-2,5,8,8,12-Pentamethyl-1,2,3,4,5,8,9,10,11,13a-decahydro-3aH-cyclopenta[12]annulene-1,3a,4,9,10,11-hexayl hexaacetate [ACD/IUPAC Name]
3aH-Cyclopentacyclododecene-1,3a,4,9,10,11-hexol, 1,2,3,4,5,8,9,10,11,13a-decahydro-2,5,8,8,12-pentamethyl-, hexaacetate, (1S,2R,3aR,4R,5S,6E,9S,10S,11S,12E,13aS)- [ACD/Index Name]
Hexaacétate de (1S,2R,3aR,4R,5S,6E,9S,10S,11S,12E,13aS)-2,5,8,8,12-pentaméthyl-1,2,3,4,5,8,9,10,11,13a-décahydro-3aH-cyclopenta[12]annulène-1,3a,4,9,10,11-hexayle [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 600.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.4±3.0 kJ/mol
Flash Point: 245.0±31.5 °C
Index of Refraction: 1.512
Molar Refractivity: 156.7±0.4 cm3
#H bond acceptors: 12
#H bond donors: 0
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: 5.05
ACD/LogD (pH 5.5): 5.11
ACD/BCF (pH 5.5): 4500.13
ACD/KOC (pH 5.5): 14340.75
ACD/LogD (pH 7.4): 5.11
ACD/BCF (pH 7.4): 4500.13
ACD/KOC (pH 7.4): 14340.75
Polar Surface Area: 158 Å2
Polarizability: 62.1±0.5 10-24cm3
Surface Tension: 45.1±5.0 dyne/cm
Molar Volume: 522.6±5.0 cm3

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