ChemSpider 2D Image | Methyl (1S,2R,4S,8R,11R,15S,18R,21R,22R,23Z,27R)-2,4-dihydroxy-18-isopropyl-2,6,11,15,24,28-hexamethyl-9,16,19-trioxo-31-oxatetracyclo[25.3.1.0~5,22~.0~8,21~]hentriaconta-5,23,28-triene-21-carboxylate | C41H62O8

Methyl (1S,2R,4S,8R,11R,15S,18R,21R,22R,23Z,27R)-2,4-dihydroxy-18-isopropyl-2,6,11,15,24,28-hexamethyl-9,16,19-trioxo-31-oxatetracyclo[25.3.1.05,22.08,21]hentriaconta-5,23,28-triene-21-carboxylate

  • Molecular FormulaC41H62O8
  • Average mass682.926 Da
  • Monoisotopic mass682.444458 Da
  • ChemSpider ID9665701

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(1S,2R,4S,8R,11R,15S,18R,21R,22R,23Z,27R)-2,4-Dihydroxy-18-isopropyl-2,6,11,15,24,28-hexaméthyl-9,16,19-trioxo-31-oxatétracyclo[25.3.1.05,22.08,21]héntriaconta-5,23,28-triène-21-carboxylate de mét 
hyle [French] [ACD/IUPAC Name]
5,9-Epoxybenzo[1,2-a:3,4-a']dicyclotetradecene-26a(4H)-carboxylic acid, 3,5,8,9,10,11,12,14,14a,15,16,17,18,19,20,21,22,23,24,25,26,26b-docosahydro-10,12-dihydroxy-2,6,10,13,17,21-hexamethyl-24-(1-met hylethyl)-15,22,25-trioxo-, methyl ester, (1Z,5R,9S,10R,12S,14aR,17R,21S,24R,26aR,26bR)- [ACD/Index Name]
Methyl (1S,2R,4S,8R,11R,15S,18R,21R,22R,23Z,27R)-2,4-dihydroxy-18-isopropyl-2,6,11,15,24,28-hexamethyl-9,16,19-trioxo-31-oxatetracyclo[25.3.1.05,22.08,21]hentriaconta-5,23,28-triene-21-carboxylate [ACD/IUPAC Name]
Methyl-(1S,2R,4S,8R,11R,15S,18R,21R,22R,23Z,27R)-2,4-dihydroxy-18-isopropyl-2,6,11,15,24,28-hexamethyl-9,16,19-trioxo-31-oxatetracyclo[25.3.1.05,22.08,21]hentriaconta-5,23,28-trien-21-carboxylat [German] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 782.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.1 mmHg at 25°C
Enthalpy of Vaporization: 129.8±6.0 kJ/mol
Flash Point: 229.0±26.4 °C
Index of Refraction: 1.544
Molar Refractivity: 189.4±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 2
ACD/LogP: 7.17
ACD/LogD (pH 5.5): 6.86
ACD/BCF (pH 5.5): 96241.67
ACD/KOC (pH 5.5): 128431.11
ACD/LogD (pH 7.4): 6.86
ACD/BCF (pH 7.4): 96241.67
ACD/KOC (pH 7.4): 128431.11
Polar Surface Area: 127 Å2
Polarizability: 75.1±0.5 10-24cm3
Surface Tension: 47.2±5.0 dyne/cm
Molar Volume: 600.0±5.0 cm3

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