Isotalatizidine

CAS Registry Number®

7633-68-3

CAS Name

Isotalatizidine

Molecular Formula

C23H37NO5

Molecular Mass

407.54

Cite this Page

Isotalatizidine.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=7633-68-3 (retrieved 2024-12-22) (CAS RN: 7633-68-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    138-140 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C23H37NO5/c1-4-24-10-21(11-28-2)6-5-17(25)23-13-7-12-15(29-3)9-22(27,18(13)19(12)26)14(20(23)24)8-16(21)23/h12-20,25-27H,4-11H2,1-3H3/t12-,13-,14+,15+,16-,17+,18-,19+,20-,21+,22+,23-/m1/s1

InChIKey

InChIKey=RBSZCNOWHDHRFZ-VHNKBEDGSA-N

SMILES

O[C@@H]1[C@@]23[C@]4([C@](COC)(CN(CC)[C@@]2([C@](C4)([C@]5(O)[C@@]6([C@]3(C[C@@]([C@@H]6O)([C@@H](OC)C5)[H])[H])[H])[H])[H])CC1)[H]

Canonical SMILES

OC1CCC2(COC)CN(CC)C3C4CC2C13C5CC6C(O)C5C4(O)CC6OC

Other Names for this Substance

  • Aconitane-1,8,14-triol, 20-ethyl-16-methoxy-4-(methoxymethyl)-, (1α,14α,16β)-
  • 1-Isotalatisidine
  • Isotalatisidine
  • 11aH-12,3,6a-Ethanylylidene-7,9-methanonaphth[2,3-b]azocine, aconitane-1,8,14-triol deriv.
  • (1α,14α,16β)-20-Ethyl-16-methoxy-4-(methoxymethyl)aconitane-1,8,14-triol

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