Product Name

  • Name

    17,23β-Epoxy-3β-hydroxy-11-oxoveratraman-28-carbaldehyde

  • EINECS
  • CAS No. 66409-98-1
  • Density 1.22g/cm3
  • Solubility
  • Melting Point
  • Formula C28H39 N O4
  • Boiling Point 650°Cat760mmHg
  • Molecular Weight 453.622
  • Flash Point 346.9°C
  • Transport Information
  • Appearance
  • Safety Poison by ingestion. Experimental teratogenic and reproductive effects.
  • Risk Codes
  • Molecular Structure Molecular Structure of 66409-98-1 (17,23β-Epoxy-3β-hydroxy-11-oxoveratraman-28-carbaldehyde)
  • Hazard Symbols
  • Synonyms Spiro[9H-benzo[a]fluorene-9,2'(3'H)-furo[3,2-b]pyridine],veratraman-28-carboxaldehyde deriv.; N-Formyljervine
  • PSA 66.84000
  • LogP 4.62350

N-Formyljervine Chemical Properties

Molecule structure of N-Formyljervine (CAS NO.66409-98-1):

IUPAC Name: (3'aS,7'aR,9R)-3-Hydroxy-3',6',10,11b-tetramethyl-11-oxospiro[1,2,3,4,6,6a,6b,7,8,11a-decahydrobenzo[a]fluorene-9,2'-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyridine]-4'-carbaldehyde 
Molecular Weight: 453.61356 g/mol
Molecular Formula: C28H39NO4 
Density: 1.22 g/cm3 
Boiling Point: 650 °C at 760 mmHg 
Flash Point: 346.9 °C
Index of Refraction: 1.597
Molar Refractivity: 126.03 cm3
Molar Volume: 369.6 cm3
Polarizability: 49.96×10-24 cm3
Surface Tension: 52 dyne/cm 
Enthalpy of Vaporization: 109.72 kJ/mol
Vapour Pressure: 1.21E-19 mmHg at 25 °C
XLogP3-AA: 2.9
H-Bond Donor: 1
H-Bond Acceptor: 4 
Tautomer Count: 5
Exact Mass: 453.287909
MonoIsotopic Mass: 453.287909
Topological Polar Surface Area: 66.8
Heavy Atom Count: 33
Complexity: 954
Defined Atom StereoCenter Count: 3
Undefined Atom StereoCenter Count: 7
Canonical SMILES: CC1CC2C(C(C3(O2)CCC4C5CC=C6CC(CCC6(C5C(=O)C4=C3C)C)O)C)N(C1)C=O
Isomeric SMILES: CC1C[C@@H]2[C@H](C([C@]3(O2)CCC4C5CC=C6CC(CCC6(C5C(=O)C4=C3C)C)O)C)N(C1)C=O
InChIKey of N-Formyljervine (CAS NO.66409-98-1): WAULJAUXPVUQMT-HXQQKEKESA-N

N-Formyljervine Toxicity Data With Reference

1.    

orl-ham LDLo:85 mg/kg

     JAFCAU    Journal of Agricultural and Food Chemistry. 26 (1978),564.

N-Formyljervine Safety Profile

Poison by ingestion. Experimental teratogenic and reproductive effects.

N-Formyljervine Specification

 N-Formyljervine (CAS NO.66409-98-1) is also named as BRN 1190429 ; Jervine, N-formyl- .

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