Beiwutine

CAS Registry Number®

76918-93-9

CAS Name

Beiwutine

Molecular Formula

C33H45NO12

Molecular Mass

647.71

Cite this Page

Beiwutine.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=76918-93-9 (retrieved 2025-02-19) (CAS RN: 76918-93-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C33H45NO12/c1-16(35)46-33-20-21(43-5)22-29(15-41-3)14-34(2)24(20)32(22,19(42-4)12-18(29)36)31(40)13-30(39,27(44-6)25(33)37)26(23(31)33)45-28(38)17-10-8-7-9-11-17/h7-11,18-27,36-37,39-40H,12-15H2,1-6H3/t18-,19+,20+,21+,22-,23+,24-,25+,26-,27+,29+,30-,31+,32-,33+/m1/s1

InChIKey

InChIKey=GPTAWZLFSGYZGC-GWGVWUHLSA-N

SMILES

O[C@]12[C@]34[C@]5([C@](COC)(CN(C)[C@@]3([C@]([C@@H]5OC)([C@]6(OC(C)=O)[C@]1([C@@H](OC(=O)C7=CC=CC=C7)[C@](O)(C2)[C@@H](OC)[C@@H]6O)[H])[H])[H])[C@H](O)C[C@@H]4OC)[H]

Canonical SMILES

O=C(OC1C2C3(O)CC1(O)C(OC)C(O)C2(OC(=O)C)C4C(OC)C5C6(COC)CN(C)C4C53C(OC)CC6O)C=7C=CC=CC7

Other Names for this Substance

  • Aconitane-3,8,10,13,14,15-hexol, 1,6,16-trimethoxy-4-(methoxymethyl)-20-methyl-, 8-acetate 14-benzoate, (1α,3α,6α,14α,15α,16β)-
  • 2H-12,3,6a-Ethanylylidene-7,9-methanonaphth[2,3-b]azocine, aconitane-3,8,10,13,14,15-hexol deriv.
  • Beiwutine
  • 10-Hydroxymesaconitine

Deleted or Replaced CAS Registry Numbers

1146978-81-5