(17R,19E,21α)-17-(Acetyloxy)-1,2,19,20-tetradehydro-1-demethylajmalan-21-yl β-D-glucopyranoside

CAS Registry Number®

31282-07-2
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CAS Name

(17R,19E,21α)-17-(Acetyloxy)-1,2,19,20-tetradehydro-1-demethylajmalan-21-yl β-D-glucopyranoside

Molecular Formula

C27H32N2O8

Molecular Mass

512.55

Cite this Page

(17R,19E,21α)-17-(Acetyloxy)-1,2,19,20-tetradehydro-1-demethylajmalan-21-yl β-D-glucopyranoside.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=31282-07-2 (retrieved 2024-04-26) (CAS RN: 31282-07-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C27H32N2O8/c1-3-12-13-8-16-23-27(14-6-4-5-7-15(14)28-23)9-17(19(13)24(27)35-11(2)31)29(16)25(12)37-26-22(34)21(33)20(32)18(10-30)36-26/h3-7,13,16-22,24-26,30,32-34H,8-10H2,1-2H3/b12-3+/t13-,16-,17-,18+,19-,20+,21-,22+,24+,25+,26-,27+/m0/s1

InChIKey

InChIKey=OSJPGOJPRNTSHP-RACSMSOZSA-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[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[H])[H])[H])[H])=NC=7C3=CC=CC7

Canonical SMILES

O=C(OC1C2C3C(=CC)C(OC4OC(CO)C(O)C(O)C4O)N5C(C6=NC=7C=CC=CC7C61CC52)C3)C

Other Names for this Substance

  • β-D-Glucopyranoside, (17R,19E,21α)-17-(acetyloxy)-1,2,19,20-tetradehydro-1-demethylajmalan-21-yl
  • Raucaffricine
  • Ajmalan, β-D-glucopyranoside deriv.
  • 6H-6,10:11,12a-Dimethanoindolo[3,2-b]quinolizine, β-D-glucopyranoside deriv.
  • (17R,19E,21α)-17-(Acetyloxy)-1,2,19,20-tetradehydro-1-demethylajmalan-21-yl β-D-glucopyranoside

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Deleted or Replaced CAS Registry Numbers

11046-67-6

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