Bikhaconitine

CAS Registry Number®

6078-26-8

CAS Name

Bikhaconitine

Molecular Formula

C36H51NO11

Molecular Mass

673.79

Cite this Page

Bikhaconitine.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=6078-26-8 (retrieved 2024-12-23) (CAS RN: 6078-26-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C36H51NO11/c1-9-37-17-33(18-41-3)13-12-24(44-6)36-21-15-34(40)25(45-7)16-35(48-19(2)38,27(30(36)37)28(46-8)29(33)36)26(21)31(34)47-32(39)20-10-11-22(42-4)23(14-20)43-5/h10-11,14,21,24-31,40H,9,12-13,15-18H2,1-8H3/t21-,24+,25+,26-,27+,28+,29-,30-,31-,33+,34+,35-,36+/m1/s1

InChIKey

InChIKey=CYIFGHJXUWZGSW-YGPLIKKXSA-N

SMILES

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

Canonical SMILES

O=C(OC1C2C3CC1(O)C(OC)CC2(OC(=O)C)C4C(OC)C5C6(COC)CN(CC)C4C35C(OC)CC6)C7=CC=C(OC)C(OC)=C7

Other Names for this Substance

  • Aconitane-8,13,14-triol, 20-ethyl-1,6,16-trimethoxy-4-(methoxymethyl)-, 8-acetate 14-(3,4-dimethoxybenzoate), (1α,6α,14α,16β)-
  • Bikhaconitine
  • 2H-12,3,6a-Ethanylylidene-7,9-methanonaphth[2,3-b]azocine, aconitane-8,13,14-triol deriv.
  • Acetylveratroylbikhaconine
  • Bikhaconitin

CAS INSIGHTSTM
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