Delcosine

CAS Registry Number®

545-56-2

CAS Name

Delcosine

Molecular Formula

C24H39NO7

Molecular Mass

453.57

Cite this Page

Delcosine.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=545-56-2 (retrieved 2024-11-22) (CAS RN: 545-56-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    198-199 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C24H39NO7/c1-5-25-10-21(11-30-2)7-6-15(26)23-13-8-12-14(31-3)9-22(28,16(13)17(12)27)24(29,20(23)25)19(32-4)18(21)23/h12-20,26-29H,5-11H2,1-4H3/t12-,13-,14+,15+,16-,17+,18-,19+,20+,21+,22-,23+,24-/m1/s1

InChIKey

InChIKey=BMZNJVXOLCBDPZ-FCXNFKKQSA-N

SMILES

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

Canonical SMILES

OC1CCC2(COC)CN(CC)C3C4(O)C(OC)C2C13C5CC6C(O)C5C4(O)CC6OC

Other Names for this Substance

  • Aconitane-1,7,8,14-tetrol, 20-ethyl-6,16-dimethoxy-4-(methoxymethyl)-, (1α,6β,14α,16β)-
  • Delcosine
  • (1α,6β,14α,16β)-20-Ethyl-6,16-dimethoxy-4-(methoxymethyl)aconitane-1,7,8,14-tetrol
  • Lucaconine
  • Delphamine

View All

Deleted or Replaced CAS Registry Numbers

1356-55-4, 7097-12-3, 22091-01-6, 56596-01-1