ChemSpider 2D Image | Methyl (27Z)-27-ethylidene-8,21,40-trimethyl-20,22-dioxa-8,25,30,40-tetraazaundecacyclo[23.11.2.1~6,17~.1~24,28~.0~1,23~.0~3,21~.0~4,18~.0~7,15~.0~9,14~.0~23,30~.0~31,36~]tetraconta-7(15),9,11,13,31,3 3,35-heptaene-29-carboxylate | C41H48N4O4

Methyl (27Z)-27-ethylidene-8,21,40-trimethyl-20,22-dioxa-8,25,30,40-tetraazaundecacyclo[23.11.2.16,17.124,28.01,23.03,21.04,18.07,15.09,14.023,30.031,36]tetraconta-7(15),9,11,13,31,3 3,35-heptaene-29-carboxylate

  • Molecular FormulaC41H48N4O4
  • Average mass660.844 Da
  • Monoisotopic mass660.367554 Da
  • ChemSpider ID4584738

  • Double-bond stereo - Double-bond stereo

More details:

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

(27Z)-27-Éthylidène-8,21,40-triméthyl-20,22-dioxa-8,25,30,40-tétraazaundécacyclo[23.11.2.16,17.124,28.01,23.03,21.04,18.07,15.09,14.023,30.031,36]tétraconta-7(15),9,11,13,31,33,35-he
 ptaène-29-carboxylate de méthyle [French] [ACD/IUPAC Name]
Methyl (27Z)-27-ethylidene-8,21,40-trimethyl-20,22-dioxa-8,25,30,40-tetraazaundecacyclo[23.11.2.16,17.124,28.01,23.03,21.04,18.07,15.09,14.023,30.031,36]tetraconta-7(15),9,11,13,31,3 
3,35-heptaene-29-carboxylate [ACD/IUPAC Name]
Methyl-(27Z)-27-ethyliden-8,21,40-trimethyl-20,22-dioxa-8,25,30,40-tetraazaundecacyclo[23.11.2.16,17.124,28.01,23.03,21.04,18.07,15.09,14.023,30.031,36]tetraconta-7(15),9,11,13,31,33 
,35-heptaen-29-carboxylat [German] [ACD/IUPAC Name]
2723-56-0 [RN]
villalstonine
Villalstonine (9CI)

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

NSC 222838 [DBID]
NSC222838 [DBID]

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.761
Molar Refractivity: 185.0±0.5 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 2
ACD/LogP: 7.05
ACD/LogD (pH 5.5): 2.93
ACD/BCF (pH 5.5): 11.93
ACD/KOC (pH 5.5): 16.63
ACD/LogD (pH 7.4): 5.51
ACD/BCF (pH 7.4): 4471.18
ACD/KOC (pH 7.4): 6234.31
Polar Surface Area: 59 Å2
Polarizability: 73.3±0.5 10-24cm3
Surface Tension: 58.4±7.0 dyne/cm
Molar Volume: 449.1±7.0 cm3

Click to predict properties on the Chemicalize site


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