Coronatine

CAS Registry Number®

62251-96-1
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CAS Name

Coronatine

Molecular Formula

C18H25NO4

Molecular Mass

319.40

Cite this Page

Coronatine.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=62251-96-1 (retrieved 2024-04-30) (CAS RN: 62251-96-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C18H25NO4/c1-3-10-7-13-12(5-6-15(13)20)14(8-10)16(21)19-18(17(22)23)9-11(18)4-2/h8,10-13H,3-7,9H2,1-2H3,(H,19,21)(H,22,23)/t10-,11+,12+,13+,18+/m1/s1

InChIKey

InChIKey=FMGBNISRFNDECK-CZSBRECXSA-N

SMILES

N(C(=O)C=1[C@@]2([C@](C[C@@H](CC)C1)(C(=O)CC2)[H])[H])[C@]3(C(O)=O)[C@@H](CC)C3

Canonical SMILES

O=C(NC1(C(=O)O)CC1CC)C2=CC(CC)CC3C(=O)CCC23

Other Names for this Substance

  • Cyclopropanecarboxylic acid, 2-ethyl-1-[[[(3aS,6R,7aS)-6-ethyl-2,3,3a,6,7,7a-hexahydro-1-oxo-1H-inden-4-yl]carbonyl]amino]-, (1S,2S)-
  • Cyclopropanecarboxylic acid, 2-ethyl-1-[[(6-ethyl-2,3,3a,6,7,7a-hexahydro-1-oxo-1H-inden-4-yl)carbonyl]amino]-, [3aS-[3aα,4(1R*,2R*),6β,7aα]]-
  • (1S,2S)-2-Ethyl-1-[[[(3aS,6R,7aS)-6-ethyl-2,3,3a,6,7,7a-hexahydro-1-oxo-1H-inden-4-yl]carbonyl]amino]cyclopropanecarboxylic acid
  • Coronatine
  • (+)-Coronatine

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