Serpentine

CAS Registry Number®

131-07-7
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CAS Name

Serpentine

Molecular Formula

C21H20N2O3

Cite this Page

Serpentine.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=131-07-7 (retrieved 2024-09-10) (CAS RN: 131-07-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C21H20N2O3/c1-12-16-10-23-8-7-14-13-5-3-4-6-18(13)22-20(14)19(23)9-15(16)17(11-26-12)21(24)25-2/h3-8,11-12,15-16H,9-10H2,1-2H3/t12-,15-,16+/m0/s1

InChIKey

InChIKey=WYTGDNHDOZPMIW-VBNZEHGJSA-N

SMILES

C(OC)(=O)C=1[C@]2(CC=3C4=C(C=5C([N-]4)=CC=CC5)C=C[N+]3C[C@@]2([C@H](C)OC1)[H])[H]

Canonical SMILES

O=C(OC)C1=COC(C)C2C[N+]=3C=CC4=C([N-]C=5C=CC=CC54)C3CC12

Other Names for this Substance

  • Oxayohimbanium, 3,4,5,6,16,17-hexadehydro-16-(methoxycarbonyl)-19-methyl-, inner salt, (19α)-
  • Serpentine (alkaloid), hydroxide, inner salt
  • Serpentine hydroxide, inner salt
  • Serpentine
  • Indolo[2,3-a]pyrano[3,4-g]quinolizin-6-ium, 4,4a,5,13,14,14a-hexahydro-1-(methoxycarbonyl)-4-methyl-, inner salt, (4S,4aR,14aS)-

Deleted or Replaced CAS Registry Numbers

4014-88-4, 3035420-82-4