(1α,6β,14α,16β)-20-Ethyl-1,6,14,16-tetramethoxy-4-[[[2-[(4-methoxy-1,4-dioxobutyl)amino]benzoyl]oxy]methyl]aconitane-7,8-diol

CAS Registry Number®

69787-05-9

CAS Name

(1α,6β,14α,16β)-20-Ethyl-1,6,14,16-tetramethoxy-4-[[[2-[(4-methoxy-1,4-dioxobutyl)amino]benzoyl]oxy]methyl]aconitane-7,8-diol

Molecular Formula

C37H52N2O11

Molecular Mass

700.82

Cite this Page

(1α,6β,14α,16β)-20-Ethyl-1,6,14,16-tetramethoxy-4-[[[2-[(4-methoxy-1,4-dioxobutyl)amino]benzoyl]oxy]methyl]aconitane-7,8-diol.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=69787-05-9 (retrieved 2024-11-22) (CAS RN: 69787-05-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C37H52N2O11/c1-7-39-18-34(19-50-32(42)20-10-8-9-11-23(20)38-26(40)12-13-27(41)47-4)15-14-25(46-3)36-22-16-21-24(45-2)17-35(43,28(22)29(21)48-5)37(44,33(36)39)31(49-6)30(34)36/h8-11,21-22,24-25,28-31,33,43-44H,7,12-19H2,1-6H3,(H,38,40)/t21-,22-,24+,25+,28-,29+,30-,31+,33+,34+,35-,36+,37-/m1/s1

InChIKey

InChIKey=SVMCGAKQNRLCHV-SBONBFDRSA-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(O)[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(O)C5C6OC)C=7C=CC=CC7NC(=O)CCC(=O)OC

Other Names for this Substance

  • Aconitane-7,8-diol, 20-ethyl-1,6,14,16-tetramethoxy-4-[[[2-[(4-methoxy-1,4-dioxobutyl)amino]benzoyl]oxy]methyl]-, (1α,6β,14α,16β)-
  • 2H-12,3,6a-Ethanylylidene-7,9-methanonaphth[2,3-b]azocine, aconitane-7,8-diol deriv.
  • (1α,6β,14α,16β)-20-Ethyl-1,6,14,16-tetramethoxy-4-[[[2-[(4-methoxy-1,4-dioxobutyl)amino]benzoyl]oxy]methyl]aconitane-7,8-diol
  • Septentriodine
  • Cashmiradelphine

CAS INSIGHTSTM
Targeted protein degrader structure, illustration