Aconitane-4-methanol, 20-ethyl-7-hydroxy-1,6,8,14,16-pentamethoxy-, α-[2-[(4-methoxy-1,4-dioxobutyl)amino]benzoate], (1α,6β,14α,16β)-

CAS Registry Number®

70553-63-8

CAS Name

Aconitane-4-methanol, 20-ethyl-7-hydroxy-1,6,8,14,16-pentamethoxy-, α-[2-[(4-methoxy-1,4-dioxobutyl)amino]benzoate], (1α,6β,14α,16β)-

Molecular Formula

C38H54N2O11

Molecular Mass

714.84

Cite this Page

Aconitane-4-methanol, 20-ethyl-7-hydroxy-1,6,8,14,16-pentamethoxy-, α-[2-[(4-methoxy-1,4-dioxobutyl)amino]benzoate], (1α,6β,14α,16β)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=70553-63-8 (retrieved 2024-11-22) (CAS RN: 70553-63-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C38H54N2O11/c1-8-40-19-35(20-51-33(43)21-11-9-10-12-24(21)39-27(41)13-14-28(42)47-4)16-15-26(46-3)37-23-17-22-25(45-2)18-36(50-7,29(23)30(22)48-5)38(44,34(37)40)32(49-6)31(35)37/h9-12,22-23,25-26,29-32,34,44H,8,13-20H2,1-7H3,(H,39,41)/t22-,23-,25+,26+,29-,30+,31-,32+,34+,35+,36-,37+,38-/m1/s1

InChIKey

InChIKey=PXDSODACKDGKHO-VEDNAUCKSA-N

SMILES

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

Canonical SMILES

O=C(OCC12CN(CC)C3C4(O)C(OC)C1C3(C(OC)CC2)C5CC6C(OC)CC4(OC)C5C6OC)C=7C=CC=CC7NC(=O)CCC(=O)OC

Other Names for this Substance

  • Aconitane-4-methanol, 20-ethyl-7-hydroxy-1,6,8,14,16-pentamethoxy-, α-[2-[(4-methoxy-1,4-dioxobutyl)amino]benzoate], (1α,6β,14α,16β)-
  • 2H-12,3,6a-Ethanylylidene-7,9-methanonaphth[2,3-b]azocine, aconitane-4-methanol deriv.
  • Septentrionine

CAS INSIGHTSTM
Targeted protein degrader structure, illustration