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Search term: JSBSYUFWSZVFHU (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (1S,11R,13S)-10-(Benzyloxy)-12-hydroxy-7-(methoxymethoxy)-11,13,15,15-tetramethyl-14-methylene-2,4-dioxatetracyclo[11.2.2.0~1,5~.0~6,11~]heptadecan-3-one | C29H40O7

(1S,11R,13S)-10-(Benzyloxy)-12-hydroxy-7-(methoxymethoxy)-11,13,15,15-tetramethyl-14-methylene-2,4-dioxatetracyclo[11.2.2.01,5.06,11]heptadecan-3-one

  • Molecular FormulaC29H40O7
  • Average mass500.624 Da
  • Monoisotopic mass500.277405 Da
  • ChemSpider ID30650495

  • defined stereocentres - 3 of 8 defined stereocentres

More details:

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

(1S,11R,13S)-10-(Benzyloxy)-12-hydroxy-7-(methoxymethoxy)-11,13,15,15-tetramethyl-14-methylen-2,4-dioxatetracyclo[11.2.2.01,5.06,11]heptadecan-3-on [German] [ACD/IUPAC Name]
(1S,11R,13S)-10-(Benzyloxy)-12-hydroxy-7-(methoxymethoxy)-11,13,15,15-tetramethyl-14-methylene-2,4-dioxatetracyclo[11.2.2.01,5.06,11]heptadecan-3-one [ACD/IUPAC Name]
(1S,11R,13S)-10-(Benzyloxy)-12-hydroxy-7-(méthoxyméthoxy)-11,13,15,15-tétraméthyl-14-méthylène-2,4-dioxatétracyclo[11.2.2.01,5.06,11]heptadécan-3-one [French] [ACD/IUPAC Name]
4H-3a,6-Ethanobenzo[3,4]cycloocta[1,2-d]-1,3-dioxol-2-one, decahydro-7-hydroxy-11-(methoxymethoxy)-4,4,6,7a-tetramethyl-5-methylene-8-(phenylmethoxy)-, (3aS,6S,7aR)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 612.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.6±3.0 kJ/mol
Flash Point: 195.6±25.0 °C
Index of Refraction: 1.566
Molar Refractivity: 134.9±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 4.82
ACD/LogD (pH 5.5): 4.99
ACD/BCF (pH 5.5): 3652.56
ACD/KOC (pH 5.5): 12351.00
ACD/LogD (pH 7.4): 4.99
ACD/BCF (pH 7.4): 3652.56
ACD/KOC (pH 7.4): 12351.00
Polar Surface Area: 83 Å2
Polarizability: 53.5±0.5 10-24cm3
Surface Tension: 48.4±5.0 dyne/cm
Molar Volume: 413.8±5.0 cm3

Click to predict properties on the Chemicalize site


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