Aconitane-7,8,14-triol, 20-ethyl-1,6,16-trimethoxy-4-(methoxymethyl)-, 14-acetate, (1α,6β,14α,16β)-

CAS Registry Number®

65601-04-9

CAS Name

Aconitane-7,8,14-triol, 20-ethyl-1,6,16-trimethoxy-4-(methoxymethyl)-, 14-acetate, (1α,6β,14α,16β)-

Molecular Formula

C27H43NO8

Molecular Mass

509.63

Cite this Page

Aconitane-7,8,14-triol, 20-ethyl-1,6,16-trimethoxy-4-(methoxymethyl)-, 14-acetate, (1α,6β,14α,16β)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=65601-04-9 (retrieved 2024-11-23) (CAS RN: 65601-04-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C27H43NO8/c1-7-28-12-24(13-32-3)9-8-18(34-5)26-16-10-15-17(33-4)11-25(30,19(16)20(15)36-14(2)29)27(31,23(26)28)22(35-6)21(24)26/h15-23,30-31H,7-13H2,1-6H3/t15-,16-,17+,18+,19-,20+,21-,22+,23+,24+,25-,26+,27-/m1/s1

InChIKey

InChIKey=BQMFTYVYHRJVMQ-JJQLKCKLSA-N

SMILES

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

Canonical SMILES

O=C(OC1C2CC3C1C(O)(CC2OC)C4(O)C(OC)C5C6(COC)CN(CC)C4C35C(OC)CC6)C

Other Names for this Substance

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

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