rel-(1R,1aR,3S,3aR,6S,6aS,6bR,7S)-1,1a,2,3,3a,6,6a,6b-Octahydro-1-[(2E,4E)-5-phenyl-2,4-pentadien-1-yl]-3,6-methanocyclobut[cd]indene-7-carboxylic acid

CAS Registry Number®

76060-34-9

CAS Name

rel-(1R,1aR,3S,3aR,6S,6aS,6bR,7S)-1,1a,2,3,3a,6,6a,6b-Octahydro-1-[(2E,4E)-5-phenyl-2,4-pentadien-1-yl]-3,6-methanocyclobut[cd]indene-7-carboxylic acid

Molecular Formula

C23H24O2

Molecular Mass

332.44

Cite this Page

rel-(1R,1aR,3S,3aR,6S,6aS,6bR,7S)-1,1a,2,3,3a,6,6a,6b-Octahydro-1-[(2E,4E)-5-phenyl-2,4-pentadien-1-yl]-3,6-methanocyclobut[cd]indene-7-carboxylic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=76060-34-9 (retrieved 2024-12-23) (CAS RN: 76060-34-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1/C23H24O2/c24-23(25)22-17-12-11-16-19(22)13-18-15(20(17)21(16)18)10-6-2-5-9-14-7-3-1-4-8-14/h1-9,11-12,15-22H,10,13H2,(H,24,25)/b6-2+,9-5+/t15-,16-,17-,18-,19-,20-,21-,22-/s2

InChIKey

InChIKey=HBOLNRUBYUUVLM-BLEJSBBZNA-N

SMILES

C(/C=C/C=C/C1=CC=CC=C1)[C@@H]2[C@@]3([C@@]4([C@]2(C[C@]5([C@@]4(C=C[C@@]3([C@@H]5C(O)=O)[H])[H])[H])[H])[H])[H]

Canonical SMILES

O=C(O)C1C2C=CC3C1CC4C(CC=CC=CC=5C=CC=CC5)C2C34

Other Names for this Substance

  • 3,6-Methanocyclobut[cd]indene-7-carboxylic acid, 1,1a,2,3,3a,6,6a,6b-octahydro-1-[(2E,4E)-5-phenyl-2,4-pentadien-1-yl]-, (1R,1aR,3S,3aR,6S,6aS,6bR,7S)-rel-
  • 3,6-Methanocyclobut[cd]indene-7-carboxylic acid, 1,1a,2,3,3a,6,6a,6b-octahydro-1-(5-phenyl-2,4-pentadienyl)-, [1α(2E,4E),1aα,3β,3aα,6β,6aα,6bα,7S*]-(±)-
  • 3,6-Methanocyclobut[cd]indene-7-carboxylic acid, 1,1a,2,3,3a,6,6a,6b-octahydro-1-[(2E,4E)-5-phenyl-2,4-pentadienyl]-, (1R,1aR,3S,3aR,6S,6aS,6bR,7S)-rel-
  • rel-(1R,1aR,3S,3aR,6S,6aS,6bR,7S)-1,1a,2,3,3a,6,6a,6b-Octahydro-1-[(2E,4E)-5-phenyl-2,4-pentadien-1-yl]-3,6-methanocyclobut[cd]indene-7-carboxylic acid
  • Endiandric acid C

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