3,6-Ditigloyloxytropane

CAS Registry Number®

47295-99-8

CAS Name

3,6-Ditigloyloxytropane

Molecular Formula

C18H27NO4

Molecular Mass

321.41

Cite this Page

3,6-Ditigloyloxytropane.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=47295-99-8 (retrieved 2025-08-15) (CAS RN: 47295-99-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1/C18H27NO4/c1-6-11(3)17(20)22-14-8-13-9-16(15(10-14)19(13)5)23-18(21)12(4)7-2/h6-7,13-16H,8-10H2,1-5H3/b11-6+,12-7+/t13-,14-,15+,16-/s2

InChIKey

InChIKey=MJJVORBCNQQRMU-BDKFDKBTNA-N

SMILES

O(C(/C(=C/C)/C)=O)[C@H]1[C@]2(N(C)[C@@](C1)(C[C@@H](OC(/C(=C/C)/C)=O)C2)[H])[H]

Canonical SMILES

O=C(OC1CC2N(C)C(C1)C(OC(=O)C(=CC)C)C2)C(=CC)C

Other Names for this Substance

  • 2-Butenoic acid, 2-methyl-, 1,1′-[(1R,3R,5S,6R)-8-methyl-8-azabicyclo[3.2.1]octane-3,6-diyl] ester, (2E,2′E)-rel-
  • 2-Butenoic acid, 2-methyl-, 8-methyl-8-azabicyclo[3.2.1]octane-3,6-diyl ester, [1α,3β(E),5α,6α(E)]-
  • Tiglic acid, 3α,6β-tropanediyl ester
  • 2-Butenoic acid, 2-methyl-, (1R,3R,5S,6R)-8-methyl-8-azabicyclo[3.2.1]octane-3,6-diyl ester, (2E,2′E)-rel-
  • 3,6-Ditigloyloxytropane

Deleted or Replaced CAS Registry Numbers

20399-50-2

CAS INSIGHTSTM
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