ChemSpider 2D Image | Methyl [(1S,3S,7R,9R,12S,13S)-13-(3-furyl)-6,6,8,12-tetramethyl-17-methylene-5,15-dioxo-2,14-dioxatetracyclo[7.7.1.0~1,12~.0~3,8~]heptadec-7-yl](hydroxy)acetate | C27H34O8

Methyl [(1S,3S,7R,9R,12S,13S)-13-(3-furyl)-6,6,8,12-tetramethyl-17-methylene-5,15-dioxo-2,14-dioxatetracyclo[7.7.1.01,12.03,8]heptadec-7-yl](hydroxy)acetate

  • Molecular FormulaC27H34O8
  • Average mass486.554 Da
  • Monoisotopic mass486.225372 Da
  • ChemSpider ID22913251

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

[(1S,3S,7R,9R,12S,13S)-13-(3-Furyl)-6,6,8,12-tétraméthyl-17-méthylène-5,15-dioxo-2,14-dioxatétracyclo[7.7.1.01,12.03,8]heptadéc-7-yl](hydroxy)acétate de méthyle [French] [ACD/IUPAC Name]
7,12a-Methano-2H,4H-pyrano[4,3-b][1]benzoxocin-8-acetic acid, 4-(3-furanyl)undecahydro-α-hydroxy-4a,7a,9,9-tetramethyl-13-methylene-2,10-dioxo-, methyl ester, (4S,4aS,7R,8R,11aS,12aS)- [ACD/Index Name]
Methyl [(1S,3S,7R,9R,12S,13S)-13-(3-furyl)-6,6,8,12-tetramethyl-17-methylene-5,15-dioxo-2,14-dioxatetracyclo[7.7.1.01,12.03,8]heptadec-7-yl](hydroxy)acetate [ACD/IUPAC Name]
Methyl-[(1S,3S,7R,9R,12S,13S)-13-(3-furyl)-6,6,8,12-tetramethyl-17-methylen-5,15-dioxo-2,14-dioxatetracyclo[7.7.1.01,12.03,8]heptadec-7-yl](hydroxy)acetat [German] [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: 630.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 98.0±3.0 kJ/mol
Flash Point: 334.8±31.5 °C
Index of Refraction: 1.571
Molar Refractivity: 124.1±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.23
ACD/LogD (pH 5.5): 3.16
ACD/BCF (pH 5.5): 147.59
ACD/KOC (pH 5.5): 1242.30
ACD/LogD (pH 7.4): 3.16
ACD/BCF (pH 7.4): 147.59
ACD/KOC (pH 7.4): 1242.29
Polar Surface Area: 112 Å2
Polarizability: 49.2±0.5 10-24cm3
Surface Tension: 52.3±5.0 dyne/cm
Molar Volume: 378.0±5.0 cm3

Click to predict properties on the Chemicalize site


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