Found 38 results

Search term: MF = 'C_{33}H_{46}O_{8}'
ChemSpider 2D Image | 2-{[(1R,4R,5S,6S,9R,10S,13R)-13-Acetoxy-5,6,9,15,15-pentamethyl-14,16-dioxatetracyclo[11.2.1.0~1,10~.0~4,9~]hexadec-5-yl]methyl}-6-methyl-1,4-phenylene diacetate | C33H46O8

2-{[(1R,4R,5S,6S,9R,10S,13R)-13-Acetoxy-5,6,9,15,15-pentamethyl-14,16-dioxatetracyclo[11.2.1.01,10.04,9]hexadec-5-yl]methyl}-6-methyl-1,4-phenylene diacetate

  • Molecular FormulaC33H46O8
  • Average mass570.714 Da
  • Monoisotopic mass570.319275 Da
  • ChemSpider ID27022553

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

1,4-Benzenediol, 2-[[(3R,5aR,7aR,8S,9S,11aR,11bS)-3-(acetyloxy)dodecahydro-5,5,8,9,11a-pentamethyl-5H-3,5a-epoxynaphth[2,1-c]oxepin-8-yl]methyl]-6-methyl-, diacetate [ACD/Index Name]
2-{[(1R,4R,5S,6S,9R,10S,13R)-13-Acetoxy-5,6,9,15,15-pentamethyl-14,16-dioxatetracyclo[11.2.1.01,10.04,9]hexadec-5-yl]methyl}-6-methyl-1,4-phenylen-diacetat [German] [ACD/IUPAC Name]
2-{[(1R,4R,5S,6S,9R,10S,13R)-13-Acetoxy-5,6,9,15,15-pentamethyl-14,16-dioxatetracyclo[11.2.1.01,10.04,9]hexadec-5-yl]methyl}-6-methyl-1,4-phenylene diacetate [ACD/IUPAC Name]
Diacétate de 2-{[(1R,4R,5S,6S,9R,10S,13R)-13-acétoxy-5,6,9,15,15-pentaméthyl-14,16-dioxatétracyclo[11.2.1.01,10.04,9]hexadéc-5-yl]méthyl}-6-méthyl-1,4-phénylène [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 599.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.3±3.0 kJ/mol
Flash Point: 247.5±30.2 °C
Index of Refraction: 1.553
Molar Refractivity: 152.6±0.4 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 7.16
ACD/LogD (pH 5.5): 6.90
ACD/BCF (pH 5.5): 103713.73
ACD/KOC (pH 5.5): 135492.30
ACD/LogD (pH 7.4): 6.90
ACD/BCF (pH 7.4): 103713.73
ACD/KOC (pH 7.4): 135492.30
Polar Surface Area: 97 Å2
Polarizability: 60.5±0.5 10-24cm3
Surface Tension: 47.9±5.0 dyne/cm
Molar Volume: 477.0±5.0 cm3

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