Cas no 77757-07-4 (Aconitane-3,8,14-triol, 20-ethyl-1,6,16-trimethoxy-4-(methoxymethyl)-, (1α,3α,6α,14α,16β)-)

Aconitane-3,8,14-triol, 20-ethyl-1,6,16-trimethoxy-4-(methoxymethyl)-, (1α,3α,6α,14α,16β)- structure
77757-07-4 structure
Product Name:Aconitane-3,8,14-triol, 20-ethyl-1,6,16-trimethoxy-4-(methoxymethyl)-, (1α,3α,6α,14α,16β)-
CAS No:77757-07-4
MF:C25H41NO7
MW:467.595548391342
CID:2685130
Update Time:2024-03-01

Aconitane-3,8,14-triol, 20-ethyl-1,6,16-trimethoxy-4-(methoxymethyl)-, (1α,3α,6α,14α,16β)- Chemical and Physical Properties

Names and Identifiers

    • Aconitane-3,8,14-triol, 20-ethyl-1,6,16-trimethoxy-4-(methoxymethyl)-, (1α,3α,6α,14α,16β)-
    • MLS000728661
    • 3-Hydroxychasmanine
    • SMR000470834
    • Inchi: 1S/C25H41NO7/c1-6-26-10-23(11-30-2)15(27)8-16(32-4)25-13-7-12-14(31-3)9-24(29,17(13)19(12)28)18(22(25)26)20(33-5)21(23)25/h12-22,27-29H,6-11H2,1-5H3
    • InChI Key: DQEABNIOXCZHOW-UHFFFAOYSA-N
    • SMILES: OC1C2C3(C4C5C6(C(C(C(O)CC6OC)(CN5CC)COC)C4OC)C2CC1C(OC)C3)O

Computed Properties

  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 8
  • Heavy Atom Count: 33
  • XLogP3: -0.766

Aconitane-3,8,14-triol, 20-ethyl-1,6,16-trimethoxy-4-(methoxymethyl)-, (1α,3α,6α,14α,16β)- Related Literature

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