Found 3 results

Search term: XOGUZUVXPLTDMB (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (2R,2aS,7aR,7bR)-3-Formyl-2a,4a-dihydroxy-6,6,7b-trimethyl-2,2a,4a,5,6,7,7a,7b-octahydro-1H-cyclobuta[e]inden-2-yl 3-chloro-6-hydroxy-4-methoxy-2-methylbenzoate | C24H29ClO7

(2R,2aS,7aR,7bR)-3-Formyl-2a,4a-dihydroxy-6,6,7b-trimethyl-2,2a,4a,5,6,7,7a,7b-octahydro-1H-cyclobuta[e]inden-2-yl 3-chloro-6-hydroxy-4-methoxy-2-methylbenzoate

  • Molecular FormulaC24H29ClO7
  • Average mass464.936 Da
  • Monoisotopic mass464.160187 Da
  • ChemSpider ID58816612

  • defined stereocentres - 4 of 5 defined stereocentres

More details:

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

(2R,2aS,7aR,7bR)-3-Formyl-2a,4a-dihydroxy-6,6,7b-trimethyl-2,2a,4a,5,6,7,7a,7b-octahydro-1H-cyclobuta[e]inden-2-yl 3-chloro-6-hydroxy-4-methoxy-2-methylbenzoate [ACD/IUPAC Name]
(2R,2aS,7aR,7bR)-3-Formyl-2a,4a-dihydroxy-6,6,7b-trimethyl-2,2a,4a,5,6,7,7a,7b-octahydro-1H-cyclobuta[e]inden-2-yl-3-chlor-6-hydroxy-4-methoxy-2-methylbenzoat [German] [ACD/IUPAC Name]
3-Chloro-6-hydroxy-4-méthoxy-2-méthylbenzoate de (2R,2aS,7aR,7bR)-3-formyl-2a,4a-dihydroxy-6,6,7b-triméthyl-2,2a,4a,5,6,7,7a,7b-octahydro-1H-cyclobuta[e]indén-2-yle [French] [ACD/IUPAC Name]
Benzoic acid, 3-chloro-6-hydroxy-4-methoxy-2-methyl-, (2R,2aS,7aR,7bR)-3-formyl-2,2a,4a,5,6,7,7a,7b-octahydro-2a,4a-dihydroxy-6,6,7b-trimethyl-1H-cyclobut[e]inden-2-yl ester [ACD/Index Name]
(2R,2AS,4AR,7AR,7BR)-3-FORMYL-2A,4A-DIHYDROXY-6,6,7B-TRIMETHYL-1H,2H,2AH,4AH,5H,6H,7H,7AH,7BH-CYCLOBUTA[E]INDEN-2-YL 3-CHLORO-6-HYDROXY-4-METHOXY-2-METHYLBENZOATE
(2R,2AS,4AR,7AR,7BR)-3-FORMYL-2A,4A-DIHYDROXY-6,6,7B-TRIMETHYL-1H,2H,5H,7H,7AH-CYCLOBUTA[E]INDEN-2-YL 3-CHLORO-6-HYDROXY-4-METHOXY-2-METHYLBENZOATE
127486-63-9 [RN]
Armillarinin

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

Density: 1.4±0.1 g/cm3
Boiling Point: 617.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 96.3±3.0 kJ/mol
Flash Point: 327.5±31.5 °C
Index of Refraction: 1.624
Molar Refractivity: 117.0±0.4 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 5.37
ACD/LogD (pH 5.5): 4.64
ACD/BCF (pH 5.5): 1985.53
ACD/KOC (pH 5.5): 7934.43
ACD/LogD (pH 7.4): 4.21
ACD/BCF (pH 7.4): 736.52
ACD/KOC (pH 7.4): 2943.23
Polar Surface Area: 113 Å2
Polarizability: 46.4±0.5 10-24cm3
Surface Tension: 64.6±5.0 dyne/cm
Molar Volume: 331.2±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement