Cas no 122590-03-8 (Humantenine, 4-demethyl-11-hydroxy-)

Humantenine, 4-demethyl-11-hydroxy- structure
122590-03-8 structure
Product Name:Humantenine, 4-demethyl-11-hydroxy-
CAS No:122590-03-8
MF:C20H24N2O4
MW:356.415565490723
CID:837071
PubChem ID:5318332
Update Time:2024-11-02

Humantenine, 4-demethyl-11-hydroxy- Chemical and Physical Properties

Names and Identifiers

    • Humantenine, 4-demethyl-11-hydroxy-
    • 11-Hydroxyrankinidine
    • Humantenine,4-demethyl-11-hydroxy
    • Nb-Demethyl-11-hydroxyhumantenine
    • [ "" ]
    • (7Z)-7-ethylidene-6'-hydroxy-1'-methoxyspiro[11-oxa-5-azatricyclo[6.3.1.04,9]dodecane-2,3'-indole]-2'-one
    • DA-49071
    • 122590-03-8
    • Spiro(3H-indole-3,8'(7'H)-(4,7)methanooxepino(4,3-b)pyridin)-2(1H)-one, 3'-ethylidene-1',2',3',4',4'a,5',9',9'a-octahydro-6-hydroxy-1-methoxy-, (3S,3'Z,4'R,4'aS,7'R,9'aS)-
    • Inchi： 1S/C20H24N2O4/c1-3-11-9-21-16-8-20(18-7-13(11)14(16)10-26-18)15-5-4-12(23)6-17(15)22(25-2)19(20)24/h3-6,13-14,16,18,21,23H,7-10H2,1-2H3/b11-3+
    • InChI Key： FALAMCOLIJTCTR-QDEBKDIKSA-N
    • SMILES： CON1C2C(=CC=C(C=2)O)C2(C3OCC4C(C3)/C(=C/C)/CNC4C2)C1=O

Computed Properties

  • Exact Mass: 356.17400
  • Monoisotopic Mass: 356.173607
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 26
  • Rotatable Bond Count: 1
  • Complexity: 637
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 5
  • Defined Bond Stereocenter Count: 1
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 71
  • XLogP3: 0.411

Experimental Properties

  • Color/Form: Powder
  • Density: 1.37
  • Boiling Point: 550.8°C at 760 mmHg
  • Flash Point: 286.9°C
  • Refractive Index: 1.658
  • PSA: 71.03000
  • LogP: 2.27490

Humantenine, 4-demethyl-11-hydroxy- Security Information

  • Storage Condition：Store at room temperature, 2-8 ℃ is better

Humantenine, 4-demethyl-11-hydroxy- Pricemore >>

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