Aconosine

CAS Registry Number®

38839-95-1

CAS Name

Aconosine

Molecular Formula

C22H35NO4

Molecular Mass

377.52

Cite this Page

Aconosine.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=38839-95-1 (retrieved 2024-11-24) (CAS RN: 38839-95-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    148 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C22H35NO4/c1-4-23-10-11-5-6-17(27-3)22-13(11)8-15(20(22)23)21(25)9-16(26-2)12-7-14(22)18(21)19(12)24/h11-20,24-25H,4-10H2,1-3H3/t11-,12+,13+,14+,15-,16-,17-,18+,19-,20+,21-,22-/m0/s1

InChIKey

InChIKey=VCOQRRVEIUTMFC-IZGTZTBCSA-N

SMILES

O(C)[C@@H]1[C@]23[C@]4([C@](C[C@@]2([C@](CN4CC)(CC1)[H])[H])([C@]5(O)[C@@]6([C@]3(C[C@@]([C@@H]6O)([C@@H](OC)C5)[H])[H])[H])[H])[H]

Canonical SMILES

OC1C2CC3C1C(O)(CC2OC)C4CC5C6CN(CC)C4C53C(OC)CC6

Other Names for this Substance

  • Aconitane-8,14-diol, 20-ethyl-1,16-dimethoxy-, (1α,14α,16β)-
  • (1α,14α,16β)-20-Ethyl-1,16-dimethoxyaconitane-8,14-diol
  • Aconosine
  • Acnosine

Deleted or Replaced CAS Registry Numbers

53568-57-3