ChemSpider 2D Image | (1beta,3alpha,5alpha,7alpha,11alpha,13alpha,17alpha,21S,23R)-1,11,21-Trihydroxy-4,4,8-trimethyl-21,23-epoxycholesta-14,20(22)-diene-3,7-diyl diacetate | C34H52O8

(1β,3α,5α,7α,11α,13α,17α,21S,23R)-1,11,21-Trihydroxy-4,4,8-trimethyl-21,23-epoxycholesta-14,20(22)-diene-3,7-diyl diacetate

  • Molecular FormulaC34H52O8
  • Average mass588.772 Da
  • Monoisotopic mass588.366211 Da
  • ChemSpider ID31112681

  • defined stereocentres - 12 of 12 defined stereocentres

More details:

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

(1β,3α,5α,7α,11α,13α,17α,21S,23R)-1,11,21-Trihydroxy-4,4,8-trimethyl-21,23-epoxycholesta-14,20(22)-dien-3,7-diyl-diacetat [German] [ACD/IUPAC Name]
(1β,3α,5α,7α,11α,13α,17α,21S,23R)-1,11,21-Trihydroxy-4,4,8-trimethyl-21,23-epoxycholesta-14,20(22)-diene-3,7-diyl diacetate [ACD/IUPAC Name]
Cholesta-14,20(22)-diene-1,3,7,11,21-pentol, 21,23-epoxy-4,4,8-trimethyl-, 3,7-diacetate, (1β,3α,5α,7α,11α,13α,17α,21S,23R)- [ACD/Index Name]
Diacétate de (1β,3α,5α,7α,11α,13α,17α,21S,23R)-1,11,21-trihydroxy-4,4,8-triméthyl-21,23-époxycholesta-14,20(22)-diène-3,7-diyle [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: 664.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.6 mmHg at 25°C
Enthalpy of Vaporization: 111.8±6.0 kJ/mol
Flash Point: 201.1±25.0 °C
Index of Refraction: 1.564
Molar Refractivity: 158.5±0.4 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 4.10
ACD/LogD (pH 5.5): 4.29
ACD/BCF (pH 5.5): 1077.03
ACD/KOC (pH 5.5): 5153.08
ACD/LogD (pH 7.4): 4.29
ACD/BCF (pH 7.4): 1077.02
ACD/KOC (pH 7.4): 5153.05
Polar Surface Area: 123 Å2
Polarizability: 62.8±0.5 10-24cm3
Surface Tension: 50.7±5.0 dyne/cm
Molar Volume: 487.0±5.0 cm3

Click to predict properties on the Chemicalize site


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