Found 28 results

Search term: MF = 'C_{39}H_{52}O_{7}'
ChemSpider 2D Image | [(2R,4a'S,5S,6a'S,8'R,10b'R)-3',3',6a',8',10b'-Pentamethyl-5-{2-[(2-methylbenzoyl)oxy]ethyl}dodecahydro-3H-spiro[furan-2,7'-naphtho[2,1-d][1,3]dioxin]-5-yl]methyl 2-methylbenzoate | C39H52O7

[(2R,4a'S,5S,6a'S,8'R,10b'R)-3',3',6a',8',10b'-Pentamethyl-5-{2-[(2-methylbenzoyl)oxy]ethyl}dodecahydro-3H-spiro[furan-2,7'-naphtho[2,1-d][1,3]dioxin]-5-yl]methyl 2-methylbenzoate

  • Molecular FormulaC39H52O7
  • Average mass632.826 Da
  • Monoisotopic mass632.371277 Da
  • ChemSpider ID17468525

  • defined stereocentres - 6 of 7 defined stereocentres

More details:

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

[(2R,4a'S,5S,6a'S,8'R,10b'R)-3',3',6a',8',10b'-Pentamethyl-5-{2-[(2-methylbenzoyl)oxy]ethyl}dodecahydro-3H-spiro[furan-2,7'-naphtho[2,1-d][1,3]dioxin]-5-yl]methyl 2-methylbenzoate [ACD/IUPAC Name]
Benzoic acid, 2-methyl-, [(2R,4a'S,5S,6a'S,8'R,10b'R)-dodecahydro-3',3',6'a,8',10'b-pentamethyl-5-[2-[(2-methylbenzoyl)oxy]ethyl]spiro[furan-2(3H),7'-[7H]naphtho[2,1-d][1,3]dioxin]-5-yl]methyl ester [ACD/Index Name]
2-((2R,4a'S,5S,6a'S,8'R,10b'R)-3',3',6a',8',10b'-pentamethyl-5-(((2-methylbenzoyl)oxy)methyl)dodecahydro-3H-spiro[furan-2,7'-naphtho[2,1-d][1,3]dioxin]-5-yl)ethyl 2-methylbenzoate
2-[(2'S,4aS,6aS,7R,8R,10bR)-3,3,6a,8,10b-pentamethyl-2'-[(2-methylbenzoyl)oxymethyl]spiro[1,4a,5,6,8,9,10,10a-octahydronaphtho[2,1-d][1,3]dioxine-7,5'-oxolane]-2'-yl]ethyl 2-methylbenzoate
956952-58-2 [RN]

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 675.3±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.1 mmHg at 25°C
    Enthalpy of Vaporization: 99.2±3.0 kJ/mol
    Flash Point: 274.2±31.5 °C
    Index of Refraction: 1.572
    Molar Refractivity: 177.2±0.4 cm3
    #H bond acceptors: 7
    #H bond donors: 0
    #Freely Rotating Bonds: 9
    #Rule of 5 Violations: 2
    ACD/LogP: 9.40
    ACD/LogD (pH 5.5): 8.99
    ACD/BCF (pH 5.5): 1000000.00
    ACD/KOC (pH 5.5): 1849149.63
    ACD/LogD (pH 7.4): 8.99
    ACD/BCF (pH 7.4): 1000000.00
    ACD/KOC (pH 7.4): 1849149.63
    Polar Surface Area: 80 Å2
    Polarizability: 70.3±0.5 10-24cm3
    Surface Tension: 49.0±5.0 dyne/cm
    Molar Volume: 538.8±5.0 cm3

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