Found 14 results

Search term: MF = 'C_{24}H_{31}ClO_{10}'
ChemSpider 2D Image | (1R,3aR,4S,6Z,8S,8aS,9R,10S,11S,12R,12aS,13S,13aR)-4-Chloro-11,12,13a-trihydroxy-1,8a,12-trimethyl-5-methylene-2-oxo-1,2,3a,4,5,8,8a,9,10,11,12,12a,13,13a-tetradecahydro-9,10-epoxybenzo[4,5]cyclodeca[ 1,2-b]furan-8,13-diyl diacetate | C24H31ClO10

(1R,3aR,4S,6Z,8S,8aS,9R,10S,11S,12R,12aS,13S,13aR)-4-Chloro-11,12,13a-trihydroxy-1,8a,12-trimethyl-5-methylene-2-oxo-1,2,3a,4,5,8,8a,9,10,11,12,12a,13,13a-tetradecahydro-9,10-epoxybenzo[4,5]cyclodeca[ 1,2-b]furan-8,13-diyl diacetate

  • Molecular FormulaC24H31ClO10
  • Average mass514.950 Da
  • Monoisotopic mass514.160583 Da
  • ChemSpider ID34981286

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 12 of 12 defined stereocentres

More details:

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

(1R,3aR,4S,6Z,8S,8aS,9R,10S,11S,12R,12aS,13S,13aR)-4-Chlor-11,12,13a-trihydroxy-1,8a,12-trimethyl-5-methylen-2-oxo-1,2,3a,4,5,8,8a,9,10,11,12,12a,13,13a-tetradecahydro-9,10-epoxybenzo[4,5]cyclodeca[1, 2-b]furan-8,13-diyl-diacetat [German] [ACD/IUPAC Name]
(1R,3aR,4S,6Z,8S,8aS,9R,10S,11S,12R,12aS,13S,13aR)-4-Chloro-11,12,13a-trihydroxy-1,8a,12-trimethyl-5-methylene-2-oxo-1,2,3a,4,5,8,8a,9,10,11,12,12a,13,13a-tetradecahydro-9,10-epoxybenzo[4,5]cyclodeca[ 1,2-b]furan-8,13-diyl diacetate [ACD/IUPAC Name]
9,10-Epoxybenzo[4,5]cyclodeca[1,2-b]furan-2(1H)-one, 8,13-bis(acetyloxy)-4-chloro-3a,4,5,8,8a,9,10,11,12,12a,13,13a-dodecahydro-11,12,13a-trihydroxy-1,8a,12-trimethyl-5-methylene-, (1R,3aR,4S,6Z,8S,8a S,9R,10S,11S,12R,12aS,13S,13aR)- [ACD/Index Name]
Diacétate de (1R,3aR,4S,6Z,8S,8aS,9R,10S,11S,12R,12aS,13S,13aR)-4-chloro-11,12,13a-trihydroxy-1,8a,12-triméthyl-5-méthylène-2-oxo-1,2,3a,4,5,8,8a,9,10,11,12,12a,13,13a-tétradécahydro-9,10-époxybenzo[4 ,5]cyclodéca[1,2-b]furane-8,13-diyle [French] [ACD/IUPAC Name]
briaviolide D

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

Density: 1.4±0.1 g/cm3
Boiling Point: 623.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.1 mmHg at 25°C
Enthalpy of Vaporization: 105.9±6.0 kJ/mol
Flash Point: 331.1±31.5 °C
Index of Refraction: 1.587
Molar Refractivity: 121.0±0.4 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 2.26
ACD/LogD (pH 5.5): 1.35
ACD/BCF (pH 5.5): 6.29
ACD/KOC (pH 5.5): 129.76
ACD/LogD (pH 7.4): 1.35
ACD/BCF (pH 7.4): 6.29
ACD/KOC (pH 7.4): 129.74
Polar Surface Area: 152 Å2
Polarizability: 48.0±0.5 10-24cm3
Surface Tension: 60.3±5.0 dyne/cm
Molar Volume: 360.2±5.0 cm3

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