Aconifine

CAS Registry Number®

41849-35-8
No image available.

CAS Name

Aconifine

Molecular Formula

C34H47NO12

Molecular Mass

661.74

Cite this Page

Aconifine.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=41849-35-8 (retrieved 2024-09-21) (CAS RN: 41849-35-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    198-200 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C34H47NO12/c1-7-35-15-30(16-42-3)19(37)13-20(43-4)33-23(30)22(44-5)21(25(33)35)34(47-17(2)36)24-27(46-29(39)18-11-9-8-10-12-18)31(40,14-32(24,33)41)28(45-6)26(34)38/h8-12,19-28,37-38,40-41H,7,13-16H2,1-6H3/t19-,20+,21+,22+,23-,24+,25-,26+,27-,28+,30+,31-,32+,33-,34+/m1/s1

InChIKey

InChIKey=GMSKTJVHWUUOMY-CGYMCTSDSA-N

SMILES

O[C@]12[C@]34[C@]5([C@](COC)(CN(CC)[C@@]3([C@]([C@@H]5OC)([C@]6(OC(C)=O)[C@]1([C@@H](OC(=O)C7=CC=CC=C7)[C@](O)(C2)[C@@H](OC)[C@@H]6O)[H])[H])[H])[C@H](O)C[C@@H]4OC)[H]

Canonical SMILES

O=C(OC1C2C3(O)CC1(O)C(OC)C(O)C2(OC(=O)C)C4C(OC)C5C6(COC)CN(CC)C4C53C(OC)CC6O)C=7C=CC=CC7

Other Names for this Substance

  • Aconitane-3,8,10,13,14,15-hexol, 20-ethyl-1,6,16-trimethoxy-4-(methoxymethyl)-, 8-acetate 14-benzoate, (1α,3α,6α,14α,15α,16β)-
  • Aconifine
  • Nagarine (C34 alkaloid)
  • 10-Hydroxyaconitine
  • Nagarine

View All