Bulleyaconitine A

CAS Registry Number®

107668-79-1
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CAS Name

Bulleyaconitine A

Molecular Formula

C35H49NO9

Molecular Mass

627.76

Cite this Page

Bulleyaconitine A.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=107668-79-1 (retrieved 2024-09-21) (CAS RN: 107668-79-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C35H49NO9/c1-8-36-17-32(18-40-3)14-13-23(42-5)35-22-15-33(39)24(43-6)16-34(45-19(2)37,27(31(35)36)29(44-7)30(32)35)25(22)26(33)28(38)20-9-11-21(41-4)12-10-20/h9-12,22-27,29-31,39H,8,13-18H2,1-7H3/t22-,23+,24+,25-,26+,27+,29+,30-,31-,32+,33+,34-,35+/m1/s1

InChIKey

InChIKey=YRECILNLFWZVRM-NCJNZZLWSA-N

SMILES

O(C)[C@@H]1[C@@]23[C@]4([C@](COC)(CN(CC)[C@@]2([C@]([C@@H]4OC)([C@]5(OC(C)=O)[C@@]6([C@]3(C[C@@](O)([C@@H]6C(=O)C7=CC=C(OC)C=C7)[C@@H](OC)C5)[H])[H])[H])[H])CC1)[H]

Canonical SMILES

O=C(OC12CC(OC)C3(O)CC(C1C3C(=O)C4=CC=C(OC)C=C4)C56C(OC)CCC7(COC)CN(CC)C6C2C(OC)C75)C

Other Names for this Substance

  • Methanone, [(1α,6α,14α,16β)-8-(acetyloxy)-20-ethyl-13-hydroxy-1,6,16-trimethoxy-4-(methoxymethyl) aconitan-14-yl](4-methoxyphenyl)-
  • 2H-12,3,6a-Ethanylylidene-7,9-methanonaphth[2,3-b]azocine, methanone deriv.
  • Aconitane, methanone deriv.
  • [(1α,6α,14α,16β)-8-(Acetyloxy)-20-ethyl-13-hydroxy-1,6,16-trimethoxy-4-(methoxymethyl) aconitan-14-yl](4-methoxyphenyl)methanone
  • Bulleyaconitine A