N-Deacetyllappaconitine

CAS Registry Number®

11033-64-0

CAS Name

N-Deacetyllappaconitine

Molecular Formula

C30H42N2O7

Molecular Mass

542.66

Cite this Page

N-Deacetyllappaconitine.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=11033-64-0 (retrieved 2024-11-13) (CAS RN: 11033-64-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    218-220 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C30H42N2O7/c1-5-32-15-27(39-26(33)16-8-6-7-9-19(16)31)11-10-23(37-3)29-21(27)13-18(24(29)32)28(34)14-20(36-2)17-12-22(29)30(28,35)25(17)38-4/h6-9,17-18,20-25,34-35H,5,10-15,31H2,1-4H3/t17-,18+,20+,21-,22+,23+,24-,25+,27-,28+,29+,30+/m1/s1

InChIKey

InChIKey=VSUODASNSRJNCP-FPKFFUFFSA-N

SMILES

O(C)[C@@H]1[C@@]23[C@]4([C@](OC(=O)C5=C(N)C=CC=C5)(CN(CC)[C@@]2([C@](C4)([C@]6(O)[C@]7(O)[C@]3(C[C@@]([C@@H]7OC)([C@@H](OC)C6)[H])[H])[H])[H])CC1)[H]

Canonical SMILES

O=C(OC12CN(CC)C3C4CC1C3(C(OC)CC2)C5CC6C(OC)CC4(O)C5(O)C6OC)C=7C=CC=CC7N

Other Names for this Substance

  • Aconitane-4,8,9-triol, 20-ethyl-1,14,16-trimethoxy-, 4-(2-aminobenzoate), (1α,14α,16β)-
  • Lappaconitine, deacetyl-
  • 2H-12,3,6a-Ethanylylidene-7,9-methanonaphth[2,3-b]azocine, aconitane-4,8,9-triol deriv.
  • 4-Anthraniloyllappaconine
  • Lappaconine 4-(2-aminobenzoate)

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CAS INSIGHTSTM
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