ChemSpider 2D Image | O-Cinnamoyltaxicin-I triacetate | C35H42O10

O-Cinnamoyltaxicin-I triacetate

  • Molecular FormulaC35H42O10
  • Average mass622.702 Da
  • Monoisotopic mass622.277771 Da
  • ChemSpider ID4475101

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(2E)-3-Phénylacrylate de (2α,5α,9α,10β)-2,9,10-triacétoxy-1-hydroxy-13-oxotaxa-4(20),11-dién-5-yle [French] [ACD/IUPAC Name]
(2α,5α,9α,10β)-2,9,10-Triacetoxy-1-hydroxy-13-oxotaxa-4(20),11-dien-5-yl (2E)-3-phenylacrylate [ACD/IUPAC Name]
(2α,5α,9α,10β)-2,9,10-Triacetoxy-1-hydroxy-13-oxotaxa-4(20),11-dien-5-yl-(2E)-3-phenylacrylat [German] [ACD/IUPAC Name]
(2α,5α,9α,10β)-2,9,10-tris(acetyloxy)-1-hydroxy-13-oxotaxa-4(20),11-dien-5-yl (2E)-3-phenylprop-2-enoate
2-Propenoic acid, 3-phenyl-, (3S,4aR,5S,6S,11R,12R,12aR)-5,11,12-tris(acetyloxy)-1,2,3,4,4a,5,6,7,8,11,12,12a-dodecahydro-6-hydroxy-9,12a,13,13-tetramethyl-4-methylene-8-oxo-6,10-methanobenzocyclodece n-3-yl ester, (2E)- [ACD/Index Name]
2-propenoic acid, 3-phenyl-, (3S,4aR,5S,6S,11R,12R,12aR)-5,11,12-tris(acetyloxy)-1,2,3,4,4a,5,6,7,8,11,12,12a-dodecahydro-6-hydroxy-9,12a,13,13-tetramethyl-4-methylene-8-oxo-6,10-methanobenzocyclodecen-3-yl ester, (2E)-
O-Cinnamoyltaxicin-I triacetate
(E)-3-Phenyl-acrylic acid (1S,2S,3R,5S,8R,9R,10R)-2,9,10-triacetoxy-1-hydroxy-8,12,15,15-tetramethyl-4-methylene-13-oxo-tricyclo[9.3.1.0*3,8*]pentadec-11-en-5-yl ester
O-Cinnamoyltaxicin I triacetate

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

90GH5S97P8 [DBID]
UNII:90GH5S97P8 [DBID]
UNII-90GH5S97P8 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 690.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 106.2±3.0 kJ/mol
Flash Point: 209.8±25.0 °C
Index of Refraction: 1.570
Molar Refractivity: 162.8±0.4 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 4.69
ACD/LogD (pH 5.5): 4.85
ACD/BCF (pH 5.5): 2835.74
ACD/KOC (pH 5.5): 10304.18
ACD/LogD (pH 7.4): 4.85
ACD/BCF (pH 7.4): 2835.69
ACD/KOC (pH 7.4): 10304.02
Polar Surface Area: 143 Å2
Polarizability: 64.5±0.5 10-24cm3
Surface Tension: 52.3±5.0 dyne/cm
Molar Volume: 495.9±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement