Hypaconitine

CAS Registry Number®

6900-87-4

CAS Name

Hypaconitine

Molecular Formula

C33H45NO10

Molecular Mass

615.71

Cite this Page

Hypaconitine.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=6900-87-4 (retrieved 2024-11-24) (CAS RN: 6900-87-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    197-198 °C (decomp)

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C33H45NO10/c1-17(35)44-33-21-19(14-31(38,28(42-6)26(33)36)27(21)43-29(37)18-10-8-7-9-11-18)32-20(40-4)12-13-30(16-39-3)15-34(2)25(32)22(33)23(41-5)24(30)32/h7-11,19-28,36,38H,12-16H2,1-6H3/t19-,20+,21-,22+,23+,24-,25-,26+,27-,28+,30+,31-,32+,33-/m1/s1

InChIKey

InChIKey=FIDOCHXHMJHKRW-FBYRGYIKSA-N

SMILES

O(C)[C@@H]1[C@]23[C@]4([C@]5([C@@](OC(C)=O)([C@@]6([C@]2(N(C)C[C@@](COC)([C@]3([C@H]6OC)[H])CC1)[H])[H])[C@@H](O)[C@H](OC)[C@@](O)(C4)[C@@H]5OC(=O)C7=CC=CC=C7)[H])[H]

Canonical SMILES

O=C(OC1C2C3CC1(O)C(OC)C(O)C2(OC(=O)C)C4C(OC)C5C6(COC)CN(C)C4C35C(OC)CC6)C=7C=CC=CC7

Other Names for this Substance

  • Aconitane-8,13,14,15-tetrol, 1,6,16-trimethoxy-4-(methoxymethyl)-20-methyl-, 8-acetate 14-benzoate, (1α,6α,14α,15α,16β)-
  • Hypaconitine
  • 2H-12,3,6a-Ethanylylidene-7,9-methanonaphth[2,3-b]azocine, aconitane-8,13,14,15-tetrol deriv.

Deleted or Replaced CAS Registry Numbers

2632-23-7

CAS INSIGHTSTM
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