Ajmalan-17,21-diol, 1,2,19,20-tetradehydro-1-demethyl-, 17-acetate, (17R,19E,21α)-

CAS Registry Number®

6880-50-8
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CAS Name

Ajmalan-17,21-diol, 1,2,19,20-tetradehydro-1-demethyl-, 17-acetate, (17R,19E,21α)-

Molecular Formula

C21H22N2O3

Molecular Mass

350.41

Cite this Page

Ajmalan-17,21-diol, 1,2,19,20-tetradehydro-1-demethyl-, 17-acetate, (17R,19E,21α)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=6880-50-8 (retrieved 2024-05-18) (CAS RN: 6880-50-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    207 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C21H22N2O3/c1-3-11-12-8-15-18-21(13-6-4-5-7-14(13)22-18)9-16(23(15)20(11)25)17(12)19(21)26-10(2)24/h3-7,12,15-17,19-20,25H,8-9H2,1-2H3/b11-3+/t12-,15-,16-,17-,19+,20+,21+/m0/s1

InChIKey

InChIKey=BERYBAUEDCRDKM-FKFYEQBHSA-N

SMILES

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

Canonical SMILES

O=C(OC1C2C3C(=CC)C(O)N4C(C5=NC=6C=CC=CC6C51CC42)C3)C

Other Names for this Substance

  • Ajmalan-17,21-diol, 1,2,19,20-tetradehydro-1-demethyl-, 17-acetate, (17R,19E,21α)-
  • Vomilenine

Deleted or Replaced CAS Registry Numbers

107853-43-0

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