Cas no 73870-35-6 (Foresaconitine)

Foresaconitine structure
Foresaconitine structure
Product Name:Foresaconitine
CAS No:73870-35-6
MF:C35H49NO9
MW:627.764871358871
CID:837844
PubChem ID:20055981
Update Time:2025-04-19

Foresaconitine Chemical and Physical Properties

Names and Identifiers

    • Foresaconitine
    • Vilmorrianine C
    • 11aH-12,3,6a-Ethanylylidene-7,9-methanonaphth[2,3-b]azocine,aconitane-8,14-diol deriv.
    • 3,13,15-Trideoxyjesaconitine
    • Chasmanine 8-acetate 14-(p-methoxybenzoate)
    • Forresaconitine
    • 73870-35-6
    • FT-0698910
    • 8-(acetyloxy)-20-ethyl-1alpha,6alpha,16beta-trimethoxy-4-(methoxymethyl)aconitan-14alpha-yl 4-methoxybenzoate
    • (1alpha,6alpha,14alpha,16beta)-8-(acetyloxy)-20-ethyl-1,6,16-trimethoxy-4-(methoxymethyl)aconitan-14-yl 4-methoxybenzoate
    • CHEBI:132637
    • Q-100804
    • YCA87035
    • [(1S,2R,3R,4S,5R,6S,8R,9R,13S,16S,17R,18R)-8-acetyloxy-11-ethyl-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] 4-methoxybenzoate
    • 11aH-12,3,6a-Ethanylylidene-7,9-methanonaphth[2,3-b]azocine, aconitane-8,14-diol deriv.
    • Inchi: 1S/C35H49NO9/c1-8-36-17-33(18-39-3)14-13-25(42-6)35-23-15-22-24(41-5)16-34(45-19(2)37,27(31(35)36)29(43-7)30(33)35)26(23)28(22)44-32(38)20-9-11-21(40-4)12-10-20/h9-12,22-31H,8,13-18H2,1-7H3/t22-,23-,24+,25+,26-,27+,28+,29+,30-,31?,33+,34-,35+/m1/s1
    • InChI Key: LYUPEIXJYAJCHL-RMQZIYKOSA-N
    • SMILES: O(C(C)=O)[C@]12C[C@@H]([C@@H]3[C@@H]([C@H]1[C@@H](C3)[C@@]13[C@H](CC[C@@]4(COC)CN(CC)C1[C@@H]2[C@@H]([C@@H]34)OC)OC)OC(C1C=CC(=CC=1)OC)=O)OC

Computed Properties

  • Exact Mass: 627.34100
  • Monoisotopic Mass: 627.34073214g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 10
  • Heavy Atom Count: 45
  • Rotatable Bond Count: 12
  • Complexity: 1140
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 12
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 3.3
  • Topological Polar Surface Area: 102?2

Experimental Properties

  • Color/Form: Powder
  • Density: 1.26
  • Boiling Point: 663.4±55.0 °C at 760 mmHg
  • Flash Point: 355.0±31.5 °C
  • PSA: 101.99000
  • LogP: 3.53810
  • Vapor Pressure: 0.0±2.0 mmHg at 25°C

Foresaconitine Security Information

Foresaconitine Pricemore >>

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