Found 78 results

Search term: MF = 'C_{29}H_{34}O_{8}'
ChemSpider 2D Image | (2alpha,5beta,10beta)-10-Acetoxy-4-hydroxy-9,13-dioxo-5,20-epoxytax-11-en-2-yl benzoate | C29H34O8

(2α,5β,10β)-10-Acetoxy-4-hydroxy-9,13-dioxo-5,20-epoxytax-11-en-2-yl benzoate

  • Molecular FormulaC29H34O8
  • Average mass510.576 Da
  • Monoisotopic mass510.225372 Da
  • ChemSpider ID17625507

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(2α,5β,10β)-10-(acetyloxy)-4-hydroxy-9,13-dioxo-5,20-epoxytax-11-en-2-yl benzoate
(2α,5β,10β)-10-Acetoxy-4-hydroxy-9,13-dioxo-5,20-epoxytax-11-en-2-yl benzoate [ACD/IUPAC Name]
(2α,5β,10β)-10-Acetoxy-4-hydroxy-9,13-dioxo-5,20-epoxytax-11-en-2-yl-benzoat [German] [ACD/IUPAC Name]
7,11-Methano-1H-cyclodeca[3,4]benz[1,2-b]oxete-5,9(3H,6H)-dione, 6-(acetyloxy)-12-(benzoyloxy)-2a,4,4a,10,11,12,12a,12b-octahydro-12b-hydroxy-4a,8,13,13-tetramethyl-, (2aR,4aR,6R,11R,12R,12aR,12bS)- [ACD/Index Name]
Benzoate de (2α,5β,10β)-10-acétoxy-4-hydroxy-9,13-dioxo-5,20-époxytax-11-én-2-yle [French] [ACD/IUPAC Name]
(1R,2R,3R,4S,7R,10R,12R)-12-(acetyloxy)-4-hydroxy-10,14,17,17-tetramethyl-11,15-dioxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl benzoate
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL391217/

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

Density: 1.3±0.1 g/cm3
Boiling Point: 654.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 101.3±3.0 kJ/mol
Flash Point: 212.9±25.0 °C
Index of Refraction: 1.591
Molar Refractivity: 131.7±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 4.13
ACD/LogD (pH 5.5): 3.03
ACD/BCF (pH 5.5): 117.34
ACD/KOC (pH 5.5): 1054.17
ACD/LogD (pH 7.4): 3.03
ACD/BCF (pH 7.4): 117.34
ACD/KOC (pH 7.4): 1054.16
Polar Surface Area: 116 Å2
Polarizability: 52.2±0.5 10-24cm3
Surface Tension: 55.8±5.0 dyne/cm
Molar Volume: 389.7±5.0 cm3

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