Pseudaconine

CAS Registry Number®

38146-89-3
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CAS Name

Pseudaconine

Molecular Formula

C25H41NO8

Molecular Mass

483.59

Cite this Page

Pseudaconine.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=38146-89-3 (retrieved 2024-05-18) (CAS RN: 38146-89-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    93-94 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C25H41NO8/c1-6-26-10-22(11-31-2)13(27)7-14(32-3)25-12-8-23(29)15(33-4)9-24(30,16(12)21(23)28)17(20(25)26)18(34-5)19(22)25/h12-21,27-30H,6-11H2,1-5H3/t12-,13-,14+,15+,16-,17+,18+,19-,20-,21-,22+,23+,24-,25+/m1/s1

InChIKey

InChIKey=WZGCQIYOKDLWMF-IEGLVABNSA-N

SMILES

O(C)[C@@H]1[C@@]23[C@]4([C@](COC)(CN(CC)[C@@]2([C@]([C@@H]4OC)([C@]5(O)[C@@]6([C@]3(C[C@@](O)([C@@H]6O)[C@@H](OC)C5)[H])[H])[H])[H])[C@H](O)C1)[H]

Canonical SMILES

OC1CC(OC)C23C4N(CC)CC1(COC)C3C(OC)C4C5(O)CC(OC)C6(O)CC2C5C6O

Other Names for this Substance

  • Aconitane-3,8,13,14-tetrol, 20-ethyl-1,6,16-trimethoxy-4-(methoxymethyl)-, (1α,3α,6α,14α,16β)-
  • (1α,3α,6α,14α,16β)-20-Ethyl-1,6,16-trimethoxy-4-(methoxymethyl)aconitane-3,8,13,14-tetrol
  • Pseudaconine
  • Pseudoaconine
  • 15-Deoxyaconine

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