ChemSpider 2D Image | (4R,8S,9R,12R,13S,15S,18R,19S,20R,21R,22R)-8,18,19,20-Tetrahydroxy-6-isopropyl-9,12-dimethyl-14,16-dioxahexacyclo[16.3.1.0~4,12~.0~5,9~.0~13,21~.0~15,20~]docosa-1,5-dien-22-yl acetate | C27H38O8

(4R,8S,9R,12R,13S,15S,18R,19S,20R,21R,22R)-8,18,19,20-Tetrahydroxy-6-isopropyl-9,12-dimethyl-14,16-dioxahexacyclo[16.3.1.04,12.05,9.013,21.015,20]docosa-1,5-dien-22-yl acetate

  • Molecular FormulaC27H38O8
  • Average mass490.586 Da
  • Monoisotopic mass490.256653 Da
  • ChemSpider ID59004878

  • defined stereocentres - 11 of 11 defined stereocentres

More details:

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

(4R,8S,9R,12R,13S,15S,18R,19S,20R,21R,22R)-8,18,19,20-Tetrahydroxy-6-isopropyl-9,12-dimethyl-14,16-dioxahexacyclo[16.3.1.04,12.05,9.013,21.015,20]docosa-1,5-dien-22-yl acetate [ACD/IUPAC Name]
(4R,8S,9R,12R,13S,15S,18R,19S,20R,21R,22R)-8,18,19,20-Tetrahydroxy-6-isopropyl-9,12-dimethyl-14,16-dioxahexacyclo[16.3.1.04,12.05,9.013,21.015,20]docosa-1,5-dien-22-yl-acetat [German] [ACD/IUPAC Name]
6,8-Methano-7H-indeno[5'',4'':3',4']cyclohepta[1',2':4,5]furo[2,3-b]pyran-1,6b,7,8,14(9H,10aH)-pentol, 1,2,3b,4,6a,11a,11b,12,13,13a-decahydro-11b,13a-dimethyl-3-(1-methylethyl)-, 14-acetate, (1S,3bR, 6aR,6bR,7S,8R,10aS,11aS,11bR,13aR,14R)- [ACD/Index Name]
Acétate de (4R,8S,9R,12R,13S,15S,18R,19S,20R,21R,22R)-8,18,19,20-tétrahydroxy-6-isopropyl-9,12-diméthyl-14,16-dioxahexacyclo[16.3.1.04,12.05,9.013,21.015,20]docosa-1,5-dién-22-yle [French] [ACD/IUPAC Name]
Striatoid E

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

Density: 1.4±0.1 g/cm3
Boiling Point: 630.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.2 mmHg at 25°C
Enthalpy of Vaporization: 106.9±6.0 kJ/mol
Flash Point: 207.2±25.0 °C
Index of Refraction: 1.624
Molar Refractivity: 125.3±0.4 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.74
ACD/LogD (pH 5.5): 4.27
ACD/BCF (pH 5.5): 1036.21
ACD/KOC (pH 5.5): 5012.53
ACD/LogD (pH 7.4): 4.27
ACD/BCF (pH 7.4): 1036.19
ACD/KOC (pH 7.4): 5012.41
Polar Surface Area: 126 Å2
Polarizability: 49.7±0.5 10-24cm3
Surface Tension: 63.5±5.0 dyne/cm
Molar Volume: 354.9±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement