ChemSpider 2D Image | 3-O-ACETYLILLUDIN M | C17H22O4

3-O-ACETYLILLUDIN M

  • Molecular FormulaC17H22O4
  • Average mass290.354 Da
  • Monoisotopic mass290.151794 Da
  • ChemSpider ID26286963

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3'S,6'R)-6'-Hydroxy-2',2',4',6'-tetramethyl-7'-oxo-2',3',6',7'-tetrahydrospiro[cyclopropane-1,5'-inden]-3'-yl acetate [ACD/IUPAC Name]
(3'S,6'R)-6'-Hydroxy-2',2',4',6'-tetramethyl-7'-oxo-2',3',6',7'-tetrahydrospiro[cyclopropane-1,5'-inden]-3'-yl-acetat [German] [ACD/IUPAC Name]
28413-94-7 [RN]
3-O-ACETYLILLUDIN M
Acétate de (3'S,6'R)-6'-hydroxy-2',2',4',6'-tétraméthyl-7'-oxo-2',3',6',7'-tétrahydrospiro[cyclopropane-1,5'-inden]-3'-yle [French] [ACD/IUPAC Name]
Spiro[cyclopropane-1,5'-[5H]inden]-7'(6'H)-one, 3'-(acetyloxy)-2',3'-dihydro-6'-hydroxy-2',2',4',6'-tetramethyl-, (3'S,6'R)- [ACD/Index Name]
[(1S,5R)-5-hydroxy-2,2,5,7-tetramethyl-4-oxo-spiro[1H-indene-6,1'-cyclopropane]-1-yl] acetate

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

5KTE26EH21 [DBID]
UNII:5KTE26EH21 [DBID]
UNII-5KTE26EH21 [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 445.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 81.1±6.0 kJ/mol
Flash Point: 160.7±22.2 °C
Index of Refraction: 1.563
Molar Refractivity: 77.3±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.83
ACD/LogD (pH 5.5): 2.27
ACD/BCF (pH 5.5): 31.46
ACD/KOC (pH 5.5): 410.91
ACD/LogD (pH 7.4): 2.27
ACD/BCF (pH 7.4): 31.46
ACD/KOC (pH 7.4): 410.90
Polar Surface Area: 64 Å2
Polarizability: 30.6±0.5 10-24cm3
Surface Tension: 46.4±5.0 dyne/cm
Molar Volume: 237.9±5.0 cm3

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