Found 24 results

Search term: MF = 'C_{34}H_{46}O_{15}'
ChemSpider 2D Image | (1R,3aS,4E,6Z,8R,8aR,9S,11R,12S,12aS,13R,13aS)-8,9,12,13-Tetraacetoxy-5-(acetoxymethyl)-13a-hydroxy-1,8a,12-trimethyl-2-oxo-1,2,3a,8,8a,9,10,11,12,12a,13,13a-dodecahydrobenzo[4,5]cyclodeca[1,2-b]furan -11-yl butyrate | C34H46O15

(1R,3aS,4E,6Z,8R,8aR,9S,11R,12S,12aS,13R,13aS)-8,9,12,13-Tetraacetoxy-5-(acetoxymethyl)-13a-hydroxy-1,8a,12-trimethyl-2-oxo-1,2,3a,8,8a,9,10,11,12,12a,13,13a-dodecahydrobenzo[4,5]cyclodeca[1,2-b]furan -11-yl butyrate

  • Molecular FormulaC34H46O15
  • Average mass694.720 Da
  • Monoisotopic mass694.283691 Da
  • ChemSpider ID29216807

  • 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

(1R,3aS,4E,6Z,8R,8aR,9S,11R,12S,12aS,13R,13aS)-8,9,12,13-Tetraacetoxy-5-(acetoxymethyl)-13a-hydroxy-1,8a,12-trimethyl-2-oxo-1,2,3a,8,8a,9,10,11,12,12a,13,13a-dodecahydrobenzo[4,5]cyclodeca[1,2-b]furan -11-yl butyrate [ACD/IUPAC Name]
(1R,3aS,4E,6Z,8R,8aR,9S,11R,12S,12aS,13R,13aS)-8,9,12,13-Tetraacetoxy-5-(acetoxymethyl)-13a-hydroxy-1,8a,12-trimethyl-2-oxo-1,2,3a,8,8a,9,10,11,12,12a,13,13a-dodecahydrobenzo[4,5]cyclodeca[1,2-b]furan -11-ylbutyrat [German] [ACD/IUPAC Name]
Butanoate de (1R,3aS,4E,6Z,8R,8aR,9S,11R,12S,12aS,13R,13aS)-8,9,12,13-tétraacétoxy-5-(acétoxyméthyl)-13a-hydroxy-1,8a,12-triméthyl-2-oxo-1,2,3a,8,8a,9,10,11,12,12a,13,13a-dodécahydrobenzo[4,5]cyclodéc a[1,2-b]furan-11-yle [French] [ACD/IUPAC Name]
Butanoic acid, (1R,3aS,4E,6Z,8R,8aR,9S,11R,12S,12aS,13R,13aS)-8,9,12,13-tetrakis(acetyloxy)-5-[(acetyloxy)methyl]-1,2,3a,8,8a,9,10,11,12,12a,13,13a-dodecahydro-13a-hydroxy-1,8a,12-trimethyl-2-oxobenzo [4,5]cyclodeca[1,2-b]furan-11-yl ester [ACD/Index Name]
briarein L

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

Density: 1.3±0.1 g/cm3
Boiling Point: 700.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.0 mmHg at 25°C
Enthalpy of Vaporization: 117.1±6.0 kJ/mol
Flash Point: 207.7±25.0 °C
Index of Refraction: 1.538
Molar Refractivity: 167.4±0.4 cm3
#H bond acceptors: 15
#H bond donors: 1
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 2
ACD/LogP: 3.14
ACD/LogD (pH 5.5): 3.22
ACD/BCF (pH 5.5): 164.46
ACD/KOC (pH 5.5): 1342.37
ACD/LogD (pH 7.4): 3.22
ACD/BCF (pH 7.4): 164.44
ACD/KOC (pH 7.4): 1342.15
Polar Surface Area: 204 Å2
Polarizability: 66.3±0.5 10-24cm3
Surface Tension: 53.1±5.0 dyne/cm
Molar Volume: 535.4±5.0 cm3

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