ChemSpider 2D Image | Methyl (2E)-[(2R,2'R,4a'S,6'S,8a'S)-6'-acetoxy-2',5',5',8a'-tetramethyldecahydro-2'H,5H-spiro[furan-2,1'-naphthalen]-5-ylidene]acetate | C22H34O5

Methyl (2E)-[(2R,2'R,4a'S,6'S,8a'S)-6'-acetoxy-2',5',5',8a'-tetramethyldecahydro-2'H,5H-spiro[furan-2,1'-naphthalen]-5-ylidene]acetate

  • Molecular FormulaC22H34O5
  • Average mass378.502 Da
  • Monoisotopic mass378.240631 Da
  • ChemSpider ID24643360

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(2E)-[(2R,2'R,4a'S,6'S,8a'S)-6'-Acétoxy-2',5',5',8a'-tétraméthyldécahydro-2'H,5H-spiro[furan-2,1'-naphthalen]-5-ylidène]acétate de méthyle [French] [ACD/IUPAC Name]
Acetic acid, 2-[(2R,2'R,4a'S,6'S,8a'S)-6'-(acetyloxy)decahydro-2',5',5',8'a-tetramethylspiro[furan-2(5H),1'(2'H)-naphthalen]-5-ylidene]-, methyl ester, (2E)- [ACD/Index Name]
Methyl (2E)-[(2R,2'R,4a'S,6'S,8a'S)-6'-acetoxy-2',5',5',8a'-tetramethyldecahydro-2'H,5H-spiro[furan-2,1'-naphthalen]-5-ylidene]acetate [ACD/IUPAC Name]
Methyl-(2E)-[(2R,2'R,4a'S,6'S,8a'S)-6'-acetoxy-2',5',5',8a'-tetramethyldecahydro-2'H,5H-spiro[furan-2,1'-naphthalen]-5-yliden]acetat [German] [ACD/IUPAC Name]
NEGUNDOIN A

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

Density: 1.1±0.1 g/cm3
Boiling Point: 450.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 70.9±3.0 kJ/mol
Flash Point: 192.0±28.8 °C
Index of Refraction: 1.514
Molar Refractivity: 102.9±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.98
ACD/LogD (pH 5.5): 4.97
ACD/BCF (pH 5.5): 3553.23
ACD/KOC (pH 5.5): 12109.62
ACD/LogD (pH 7.4): 4.97
ACD/BCF (pH 7.4): 3553.23
ACD/KOC (pH 7.4): 12109.62
Polar Surface Area: 62 Å2
Polarizability: 40.8±0.5 10-24cm3
Surface Tension: 40.2±5.0 dyne/cm
Molar Volume: 341.9±5.0 cm3

Click to predict properties on the Chemicalize site


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