Nortetraphyllicine

• Catalog Number: ACM68160769
• Product Name: Nortetraphyllicine
• CAS: 68160-76-9
• Category: Heterocyclic Organic Compound
• Synonyms: (17R,19E)-19,20-Didehydro-1-demethylajmalan-17-ol
• IUPAC Name: 4-(Decyloxy)-2-hydroxybenzaldehyde
• Molecular Weight: 294.4
• Molecular Formula: C₁₉H₂₂N₂O
• Canonical SMILES: CC=C1CN2C3CC1C4C2CC5(C3NC6=CC=CC=C65)C4O
• InChI: InChI=1S/C19H22N2O/c1-2-10-9-21-14-7-11(10)16-15(21)8-19(18(16)22)12-5-3-4-6-13(12)20-17(14)19/h2-6,11,14-18,20,22H,7-9H2,1H3/b10-2-/t11-,14-,15-,16,17-,18+,19+/m0/s1
• InChI Key: HEKXGHRRYWMPER-RWFFMQQTSA-N
• Complexity: 560
• Covalently-Bonded Unit Count: 1
• Defined Atom Stereocenter Count: 6
• Exact Mass: 294.17321333
• Heavy Atom Count: 22
• Hydrogen Bond Acceptor Count: 3
• Hydrogen Bond Donor Count: 2
• Isomeric SMILES: C/C=C\1/CN2[C@H]3C[C@@H]1C4[C@@H]2C[C@@]5([C@H]3NC6=CC=CC=C65)[C@@H]4O
• Monoisotopic Mass: 294.17321333
• Physical State: Powder
• Rotatable Bond Count: 0
• Topological Polar Surface Area: 35.5 Ų