Found 78 results

Search term: MF = 'C_{29}H_{34}O_{8}'
ChemSpider 2D Image | Methyl (2S,4aR,6aR,7R,9S,10aS,10bR)-9-[(benzyloxy)methoxy]-2-(3-furyl)-6a,10b-dimethyl-4,10-dioxododecahydro-2H-benzo[f]isochromene-7-carboxylate | C29H34O8

Methyl (2S,4aR,6aR,7R,9S,10aS,10bR)-9-[(benzyloxy)methoxy]-2-(3-furyl)-6a,10b-dimethyl-4,10-dioxododecahydro-2H-benzo[f]isochromene-7-carboxylate

  • Molecular FormulaC29H34O8
  • Average mass510.576 Da
  • Monoisotopic mass510.225372 Da
  • ChemSpider ID23324054

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(2S,4aR,6aR,7R,9S,10aS,10bR)-9-[(Benzyloxy)méthoxy]-2-(3-furyl)-6a,10b-diméthyl-4,10-dioxododécahydro-2H-benzo[f]isochromène-7-carboxylate de méthyle [French] [ACD/IUPAC Name]
2H-Naphtho[2,1-c]pyran-7-carboxylic acid, 2-(3-furanyl)dodecahydro-6a,10b-dimethyl-4,10-dioxo-9-[(phenylmethoxy)methoxy]-, methyl ester, (2S,4aR,6aR,7R,9S,10aS,10bR)- [ACD/Index Name]
Methyl (2S,4aR,6aR,7R,9S,10aS,10bR)-9-[(benzyloxy)methoxy]-2-(3-furyl)-6a,10b-dimethyl-4,10-dioxododecahydro-2H-benzo[f]isochromene-7-carboxylate [ACD/IUPAC Name]
methyl (2S,4aR,6aR,7R,9S,10aS,10bR)-9-[(benzyloxy)methoxy]-2-(furan-3-yl)-6a,10b-dimethyl-4,10-dioxododecahydro-2H-benzo[f]isochromene-7-carboxylate
Methyl-(2S,4aR,6aR,7R,9S,10aS,10bR)-9-[(benzyloxy)methoxy]-2-(3-furyl)-6a,10b-dimethyl-4,10-dioxododecahydro-2H-benzo[f]isochromen-7-carboxylat [German] [ACD/IUPAC Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL271061/
salvinorin B benzyloxymethyl ether

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

Density: 1.3±0.1 g/cm3
Boiling Point: 634.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 93.7±3.0 kJ/mol
Flash Point: 337.3±31.5 °C
Index of Refraction: 1.573
Molar Refractivity: 133.0±0.4 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 4.04
ACD/LogD (pH 5.5): 4.17
ACD/BCF (pH 5.5): 864.09
ACD/KOC (pH 5.5): 4401.38
ACD/LogD (pH 7.4): 4.17
ACD/BCF (pH 7.4): 864.09
ACD/KOC (pH 7.4): 4401.38
Polar Surface Area: 101 Å2
Polarizability: 52.7±0.5 10-24cm3
Surface Tension: 52.2±5.0 dyne/cm
Molar Volume: 403.5±5.0 cm3

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