Denudatine

CAS Registry Number®

26166-37-0

CAS Name

Denudatine

Molecular Formula

C22H33NO2

Molecular Mass

343.50

Cite this Page

Denudatine.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=26166-37-0 (retrieved 2024-11-22) (CAS RN: 26166-37-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    248-249 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C22H33NO2/c1-4-23-11-20(3)7-5-8-22-15(20)10-14(18(22)23)21-9-6-13(12(2)19(21)25)16(24)17(21)22/h13-19,24-25H,2,4-11H2,1,3H3/t13-,14+,15-,16+,17-,18-,19-,20+,21+,22+/m1/s1

InChIKey

InChIKey=OVXLNQAYPUEDSI-ZAWREGRRSA-N

SMILES

O[C@@H]1[C@]2([C@@]34[C@]5([C@@]([C@]26[C@H](O)C(=C)[C@]1(CC6)[H])(C[C@@]3([C@](C)(CN5CC)CCC4)[H])[H])[H])[H]

Canonical SMILES

OC1C(=C)C2CCC13C4CC5C6(C)CN(CC)C4C5(CCC6)C3C2O

Other Names for this Substance

  • 8,10a-Ethano-11,3,6a-ethanylylidene-8H-indeno[2,1-b]azocine-7,10-diol, 1-ethyldodecahydro-3-methyl-9-methylene-, (3R,6aS,6bS,7S,8R,10R,10aS,11R,11aR,13R)-
  • Denudatine
  • 7,20-Cycloatidane-11,15-diol, 16,17-didehydro-21-ethyl-4-methyl-, (11β,15β)-
  • (3R,6aS,6bS,7S,8R,10R,10aS,11R,11aR,13R)-1-Ethyldodecahydro-3-methyl-9-methylene-8,10a-ethano-11,3,6a-ethanylylidene-8H-indeno[2,1-b]azocine-7,10-diol
  • 8,10a-Ethano-11,3,6a-ethanylylidene-8H-indeno[2,1-b]azocine-7,10-diol, 1-ethyldodecahydro-3-methyl-9-methylene-, [3R-(3α,6aα,6bα,7α,8β,10α,10aβ,11α,11aβ,13R*)]-

CAS INSIGHTSTM
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