Found 18 results

Search term: MF = 'C_{28}H_{38}O_{14}'
ChemSpider 2D Image | (1S,2S,4S,4aS,5S,7R,8Z,9aS,11aR,12aS,13S,13aS)-8-(Acetoxymethyl)-1,2,7-trihydroxy-1,4a,11a-trimethyl-11-oxo-2,3,4,4a,5,6,7,9a,11,11a,13,13a-dodecahydro-1H-benzo[4,5]cyclodeca[1,2-b]oxireno[c]furan-4,5 ,13-triyl triacetate | C28H38O14

(1S,2S,4S,4aS,5S,7R,8Z,9aS,11aR,12aS,13S,13aS)-8-(Acetoxymethyl)-1,2,7-trihydroxy-1,4a,11a-trimethyl-11-oxo-2,3,4,4a,5,6,7,9a,11,11a,13,13a-dodecahydro-1H-benzo[4,5]cyclodeca[1,2-b]oxireno[c]furan-4,5 ,13-triyl triacetate

  • Molecular FormulaC28H38O14
  • Average mass598.593 Da
  • Monoisotopic mass598.226135 Da
  • ChemSpider ID29214586

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 11 of 11 defined stereocentres

More details:

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

(1S,2S,4S,4aS,5S,7R,8Z,9aS,11aR,12aS,13S,13aS)-8-(Acetoxymethyl)-1,2,7-trihydroxy-1,4a,11a-trimethyl-11-oxo-2,3,4,4a,5,6,7,9a,11,11a,13,13a-dodecahydro-1H-benzo[4,5]cyclodeca[1,2-b]oxireno[c]furan-4,5 ,13-triyl triacetate [ACD/IUPAC Name]
(1S,2S,4S,4aS,5S,7R,8Z,9aS,11aR,12aS,13S,13aS)-8-(Acetoxymethyl)-1,2,7-trihydroxy-1,4a,11a-trimethyl-11-oxo-2,3,4,4a,5,6,7,9a,11,11a,13,13a-dodecahydro-1H-benzo[4,5]cyclodeca[1,2-b]oxireno[c]furan-4,5 ,13-triyl-triacetat [German] [ACD/IUPAC Name]
1H-Benzo[4,5]cyclodec[1,2-b]oxireno[c]furan-11(11aH)-one, 4,5,13-tris(acetyloxy)-8-[(acetyloxy)methyl]-2,3,4,4a,5,6,7,9a,13,13a-decahydro-1,2,7-trihydroxy-1,4a,11a-trimethyl-, (1S,2S,4S,4aS,5S,7R,8Z,9 aS,11aR,12aS,13S,13aS)- [ACD/Index Name]
Triacétate de (1S,2S,4S,4aS,5S,7R,8Z,9aS,11aR,12aS,13S,13aS)-8-(acétoxyméthyl)-1,2,7-trihydroxy-1,4a,11a-triméthyl-11-oxo-2,3,4,4a,5,6,7,9a,11,11a,13,13a-dodécahydro-1H-benzo[4,5]cyclodéca[1,2-b]oxiré no[c]furane-4,5,13-triyle [French] [ACD/IUPAC Name]
briacavatolide B

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

Density: 1.4±0.1 g/cm3
Boiling Point: 683.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.8 mmHg at 25°C
Enthalpy of Vaporization: 114.7±6.0 kJ/mol
Flash Point: 216.5±25.0 °C
Index of Refraction: 1.570
Molar Refractivity: 138.7±0.4 cm3
#H bond acceptors: 14
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: -0.55
ACD/LogD (pH 5.5): -0.03
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 22.90
ACD/LogD (pH 7.4): -0.03
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 22.90
Polar Surface Area: 205 Å2
Polarizability: 55.0±0.5 10-24cm3
Surface Tension: 62.4±5.0 dyne/cm
Molar Volume: 422.5±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement