ChemSpider 2D Image | Methyl (2R)-[(1S,2R,3S,4R,7S,8R,12R,14R,15S,16R,17S,18S)-8-(3-furyl)-1,3,15-trihydroxy-7,16,18-trimethyl-10-oxo-9,13-dioxahexacyclo[14.2.1.0~2,14~.0~3,12~.0~4,18~.0~7,12~]nonadec-17-yl](hydroxy)acetat e | C27H34O10

Methyl (2R)-[(1S,2R,3S,4R,7S,8R,12R,14R,15S,16R,17S,18S)-8-(3-furyl)-1,3,15-trihydroxy-7,16,18-trimethyl-10-oxo-9,13-dioxahexacyclo[14.2.1.02,14.03,12.04,18.07,12]nonadec-17-yl](hydroxy)acetat e

  • Molecular FormulaC27H34O10
  • Average mass518.553 Da
  • Monoisotopic mass518.215210 Da
  • ChemSpider ID31148274

  • defined stereocentres - 13 of 13 defined stereocentres

More details:

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

(2R)-[(1S,2R,3S,4R,7S,8R,12R,14R,15S,16R,17S,18S)-8-(3-Furyl)-1,3,15-trihydroxy-7,16,18-triméthyl-10-oxo-9,13-dioxahexacyclo[14.2.1.02,14.03,12.04,18.07,12]nonadéc-17-yl](hydroxy)acétate de mé
 thyle [French] [ACD/IUPAC Name]
2,4-Methano-1H-furo[2',3',4',5':4,5]fluoreno[3,4-c]pyran-12-acetic acid, 7-(3-furanyl)tetradecahydro-α,1,3a,11c-tetrahydroxy-2,4,6a-trimethyl-9-oxo-, methyl ester, (αR,1S,2R,3aS,4S,4aR,6aS,7R, 10aR,11aR,11bR,11cS,12S)- [ACD/Index Name]
Methyl (2R)-[(1S,2R,3S,4R,7S,8R,12R,14R,15S,16R,17S,18S)-8-(3-furyl)-1,3,15-trihydroxy-7,16,18-trimethyl-10-oxo-9,13-dioxahexacyclo[14.2.1.02,14.03,12.04,18.07,12]nonadec-17-yl](hydroxy)acetat 
e [ACD/IUPAC Name]
Methyl-(2R)-[(1S,2R,3S,4R,7S,8R,12R,14R,15S,16R,17S,18S)-8-(3-furyl)-1,3,15-trihydroxy-7,16,18-trimethyl-10-oxo-9,13-dioxahexacyclo[14.2.1.02,14.03,12.04,18.07,12]nonadec-17-yl](hydroxy)acetat [German] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 726.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 111.4±3.0 kJ/mol
Flash Point: 393.3±32.9 °C
Index of Refraction: 1.651
Molar Refractivity: 125.0±0.4 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 0.70
ACD/LogD (pH 5.5): 0.89
ACD/BCF (pH 5.5): 2.79
ACD/KOC (pH 5.5): 72.51
ACD/LogD (pH 7.4): 0.89
ACD/BCF (pH 7.4): 2.79
ACD/KOC (pH 7.4): 72.51
Polar Surface Area: 156 Å2
Polarizability: 49.5±0.5 10-24cm3
Surface Tension: 74.8±5.0 dyne/cm
Molar Volume: 342.2±5.0 cm3

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