Found 24 results

Search term: MF = 'C_{34}H_{46}O_{15}'
ChemSpider 2D Image | (1R,2R,3aR,5R,6E,9S,10S,11S,13R,13aS)-2,5,8,8-Tetramethyl-12-methylene-4-oxo-1,2,3,4,5,8,9,10,11,12,13,13a-dodecahydro-3aH-cyclopenta[12]annulene-1,2,3a,9,10,11,13-heptayl heptaacetate | C34H46O15

(1R,2R,3aR,5R,6E,9S,10S,11S,13R,13aS)-2,5,8,8-Tetramethyl-12-methylene-4-oxo-1,2,3,4,5,8,9,10,11,12,13,13a-dodecahydro-3aH-cyclopenta[12]annulene-1,2,3a,9,10,11,13-heptayl heptaacetate

  • Molecular FormulaC34H46O15
  • Average mass694.720 Da
  • Monoisotopic mass694.283691 Da
  • ChemSpider ID90633830

  • 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

(1R,2R,3aR,5R,6E,9S,10S,11S,13R,13aS)-2,5,8,8-Tetramethyl-12-methylen-4-oxo-1,2,3,4,5,8,9,10,11,12,13,13a-dodecahydro-3aH-cyclopenta[12]annulen-1,2,3a,9,10,11,13-heptayl-heptaacetat [German] [ACD/IUPAC Name]
(1R,2R,3aR,5R,6E,9S,10S,11S,13R,13aS)-2,5,8,8-Tetramethyl-12-methylene-4-oxo-1,2,3,4,5,8,9,10,11,12,13,13a-dodecahydro-3aH-cyclopenta[12]annulene-1,2,3a,9,10,11,13-heptayl heptaacetate [ACD/IUPAC Name]
4H-Cyclopentacyclododecen-4-one, 1,2,3a,9,10,11,13-heptakis(acetyloxy)-1,2,3,3a,5,8,9,10,11,12,13,13a-dodecahydro-2,5,8,8-tetramethyl-12-methylene-, (1R,2R,3aR,5R,6E,9S,10S,11S,13R,13aS)- [ACD/Index Name]
Heptaacétate de (1R,2R,3aR,5R,6E,9S,10S,11S,13R,13aS)-2,5,8,8-tétraméthyl-12-méthylène-4-oxo-1,2,3,4,5,8,9,10,11,12,13,13a-dodécahydro-3aH-cyclopenta[12]annulène-1,2,3a,9,10,11,13-heptayle [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 661.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 97.3±3.0 kJ/mol
Flash Point: 267.3±31.5 °C
Index of Refraction: 1.516
Molar Refractivity: 167.8±0.4 cm3
#H bond acceptors: 15
#H bond donors: 0
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 4.58
ACD/LogD (pH 5.5): 4.17
ACD/BCF (pH 5.5): 869.12
ACD/KOC (pH 5.5): 4419.70
ACD/LogD (pH 7.4): 4.17
ACD/BCF (pH 7.4): 869.12
ACD/KOC (pH 7.4): 4419.70
Polar Surface Area: 201 Å2
Polarizability: 66.5±0.5 10-24cm3
Surface Tension: 48.3±5.0 dyne/cm
Molar Volume: 555.7±5.0 cm3

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