Found 29 results

Search term: MF = 'C_{34}H_{48}O_{12}'
ChemSpider 2D Image | (4S,4aR,5R,6R,7S,8Z,9aS,11aR,12aS,13S,13aS)-4,5,13-Triacetoxy-6-hydroxy-1,4a,8,11a-tetramethyl-11-oxo-4,4a,5,6,7,9a,11,11a,13,13a-decahydro-3H-benzo[4,5]cyclodeca[1,2-b]oxireno[c]furan-7-yl octanoate | C34H48O12

(4S,4aR,5R,6R,7S,8Z,9aS,11aR,12aS,13S,13aS)-4,5,13-Triacetoxy-6-hydroxy-1,4a,8,11a-tetramethyl-11-oxo-4,4a,5,6,7,9a,11,11a,13,13a-decahydro-3H-benzo[4,5]cyclodeca[1,2-b]oxireno[c]furan-7-yl octanoate

  • Molecular FormulaC34H48O12
  • Average mass648.738 Da
  • Monoisotopic mass648.314575 Da
  • ChemSpider ID9402595

  • 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

(4S,4aR,5R,6R,7S,8Z,9aS,11aR,12aS,13S,13aS)-4,5,13-Triacetoxy-6-hydroxy-1,4a,8,11a-tetramethyl-11-oxo-4,4a,5,6,7,9a,11,11a,13,13a-decahydro-3H-benzo[4,5]cyclodeca[1,2-b]oxireno[c]furan-7-yl octanoate [ACD/IUPAC Name]
(4S,4aR,5R,6R,7S,8Z,9aS,11aR,12aS,13S,13aS)-4,5,13-Triacetoxy-6-hydroxy-1,4a,8,11a-tetramethyl-11-oxo-4,4a,5,6,7,9a,11,11a,13,13a-decahydro-3H-benzo[4,5]cyclodeca[1,2-b]oxireno[c]furan-7-yl-octanoat [German] [ACD/IUPAC Name]
Octanoate de (4S,4aR,5R,6R,7S,8Z,9aS,11aR,12aS,13S,13aS)-4,5,13-triacétoxy-6-hydroxy-1,4a,8,11a-tétraméthyl-11-oxo-4,4a,5,6,7,9a,11,11a,13,13a-décahydro-3H-benzo[4,5]cyclodéca[1,2-b]oxiréno[c]furan-7- yle [French] [ACD/IUPAC Name]
Octanoic acid, (4S,4aR,5R,6R,7S,8Z,9aS,11aR,12aS,13S,13aS)-4,5,13-tris(acetyloxy)-4,4a,5,6,7,9a,11,11a,13,13a-decahydro-6-hydroxy-1,4a,8,11a-tetramethyl-11-oxo-3H-benzo[4,5]cyclodec[1,2-b]oxireno[c]fu ran-7-yl ester [ACD/Index 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: 708.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.1 mmHg at 25°C
Enthalpy of Vaporization: 118.5±6.0 kJ/mol
Flash Point: 214.2±26.4 °C
Index of Refraction: 1.543
Molar Refractivity: 163.1±0.4 cm3
#H bond acceptors: 12
#H bond donors: 1
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 4.92
ACD/LogD (pH 5.5): 5.25
ACD/BCF (pH 5.5): 5765.22
ACD/KOC (pH 5.5): 17123.18
ACD/LogD (pH 7.4): 5.25
ACD/BCF (pH 7.4): 5765.19
ACD/KOC (pH 7.4): 17123.07
Polar Surface Area: 164 Å2
Polarizability: 64.7±0.5 10-24cm3
Surface Tension: 50.9±5.0 dyne/cm
Molar Volume: 517.1±5.0 cm3

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