Karakoline

CAS Registry Number®

39089-30-0
No image available.

CAS Name

Karakoline

Molecular Formula

C22H35NO4

Molecular Mass

377.52

Cite this Page

Karakoline.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=39089-30-0 (retrieved 2024-09-20) (CAS RN: 39089-30-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    185-186 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C22H35NO4/c1-4-23-10-20(2)6-5-16(24)22-12-7-11-14(27-3)9-21(26,17(12)18(11)25)13(19(22)23)8-15(20)22/h11-19,24-26H,4-10H2,1-3H3/t11-,12-,13+,14+,15-,16+,17-,18+,19-,20+,21+,22-/m1/s1

InChIKey

InChIKey=HKQZUYOVMYOFIT-JEJCSOMWSA-N

SMILES

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

Canonical SMILES

OC1CCC2(C)CN(CC)C3C4CC2C13C5CC6C(O)C5C4(O)CC6OC

Other Names for this Substance

  • Aconitane-1,8,14-triol, 20-ethyl-16-methoxy-4-methyl-, (1α,14α,16β)-
  • Carmicheline
  • 11aH-12,3,6a-Ethanylylidene-7,9-methanonaphth[2,3-b]azocine, aconitane-1,8,14-triol deriv.
  • (1α,14α,16β)-20-Ethyl-16-methoxy-4-methylaconitane-1,8,14-triol
  • Karacoline

View All

Deleted or Replaced CAS Registry Numbers

1361-97-3, 11011-98-6, 856761-38-1, 859035-97-5