Perakine

CAS Registry Number®

4382-56-3

CAS Name

Perakine

Molecular Formula

C21H22N2O3

Molecular Mass

350.41

Cite this Page

Perakine.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=4382-56-3 (retrieved 2025-01-08) (CAS RN: 4382-56-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    186 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C21H22N2O3/c1-10-13(9-24)12-7-16-19-21(14-5-3-4-6-15(14)22-19)8-17(23(10)16)18(12)20(21)26-11(2)25/h3-6,9-10,12-13,16-18,20H,7-8H2,1-2H3/t10-,12-,13-,16-,17-,18-,20+,21+/m0/s1

InChIKey

InChIKey=GDXJMOGWONJRHL-AFXVYWMKSA-N

SMILES

O(C(C)=O)[C@H]1[C@]23C([C@]4(N5[C@@](C2)([C@@]1([C@@](C4)([C@@H](C=O)[C@@H]5C)[H])[H])[H])[H])=NC=6C3=CC=CC6

Canonical SMILES

O=CC1C(N2C3C4=NC=5C=CC=CC5C46CC2C(C6OC(=O)C)C1C3)C

Other Names for this Substance

  • 18-Norajmalan-19-al, 17-(acetyloxy)-1,2-didehydro-1-demethyl-21-methyl-, (17R,20α,21β)-
  • Perakine
  • (17R,20α,21β)-17-(Acetyloxy)-1,2-didehydro-1-demethyl-21-methyl-18-norajmalan-19-al
  • Raucaffrine

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