Delphinine

CAS Registry Number®

561-07-9

CAS Name

Delphinine

Molecular Formula

C33H45NO9

Molecular Mass

599.71

Cite this Page

Delphinine.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=561-07-9 (retrieved 2024-11-25) (CAS RN: 561-07-9).  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/C33H45NO9/c1-18(35)43-32-15-22(40-5)31(37)14-20(23(32)28(31)42-29(36)19-10-8-7-9-11-19)33-21(39-4)12-13-30(17-38-3)16-34(2)27(33)24(32)25(41-6)26(30)33/h7-11,20-28,37H,12-17H2,1-6H3/t20-,21+,22+,23-,24+,25+,26-,27-,28-,30+,31+,32-,33+/m1/s1

InChIKey

InChIKey=REVYTWNGZDPRKE-PFOCBDCYSA-N

SMILES

O(C)[C@@H]1[C@@]23[C@@]4([C@@H](OC)[C@@]([C@]2(N(C)C[C@]4(COC)CC1)[H])([C@]5(OC(C)=O)[C@@]6([C@]3(C[C@@](O)([C@@H]6OC(=O)C7=CC=CC=C7)[C@@H](OC)C5)[H])[H])[H])[H]

Canonical SMILES

O=C(OC1C2C3CC1(O)C(OC)CC2(OC(=O)C)C4C(OC)C5C6(COC)CN(C)C4C35C(OC)CC6)C=7C=CC=CC7

Other Names for this Substance

  • Aconitane-8,13,14-triol, 1,6,16-trimethoxy-4-(methoxymethyl)-20-methyl-, 8-acetate 14-benzoate, (1α,6α,14α,16β)-
  • Delphinine
  • Indaconitine, N-deethyl-3-deoxy-N-methyl-
  • 2H-12,3,6a-Ethanylylidene-7,9-methanonaphth[2,3-b]azocine, aconitane-8,13,14-triol deriv.
  • NSC 56463

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