Indaconitine

CAS Registry Number®

4491-19-4
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CAS Name

Indaconitine

Molecular Formula

C34H47NO10

Molecular Mass

629.74

Cite this Page

Indaconitine.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=4491-19-4 (retrieved 2024-09-22) (CAS RN: 4491-19-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    193-195 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C34H47NO10/c1-7-35-16-31(17-40-3)21(37)13-22(41-4)34-20-14-32(39)23(42-5)15-33(45-18(2)36,25(28(34)35)26(43-6)27(31)34)24(20)29(32)44-30(38)19-11-9-8-10-12-19/h8-12,20-29,37,39H,7,13-17H2,1-6H3/t20-,21-,22+,23+,24-,25+,26+,27-,28-,29-,31+,32+,33-,34+/m1/s1

InChIKey

InChIKey=PHDZNMWTZQPAEW-IOZYTHHVSA-N

SMILES

O(C)[C@@H]1[C@@]23[C@]4([C@](COC)(CN(CC)[C@@]2([C@]([C@@H]4OC)([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])[C@H](O)C1)[H]

Canonical SMILES

O=C(OC1C2C3CC1(O)C(OC)CC2(OC(=O)C)C4C(OC)C5C6(COC)CN(CC)C4C35C(OC)CC6O)C=7C=CC=CC7

Other Names for this Substance

  • Aconitane-3,8,13,14-tetrol, 20-ethyl-1,6,16-trimethoxy-4-(methoxymethyl)-, 8-acetate 14-benzoate, (1α,3α,6α,14α,16β)-
  • Indaconitine
  • 2H-12,3,6a-Ethanylylidene-7,9-methanonaphth[2,3-b]azocine, aconitane-3,8,13,14-tetrol deriv.
  • Acetylbenzoylpseudoaconine
  • Acetylbenzoylpseudaconine

View All

Deleted or Replaced CAS Registry Numbers

857370-52-6