(αR,2R,5S,6R)-6-[(1E,3E)-1-Ethyl-4-[(1S,3aR,4S,5S,7aS)-1-ethyl-2,3,3a,4,5,7a-hexahydro-4-(1H-pyrrol-2-ylcarbonyl)-1H-inden-5-yl]-1,3-butadien-1-yl]tetrahydro-α,5-dimethyl-2H-pyran-2-acetic acid

CAS Registry Number®

66513-28-8
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CAS Name

(αR,2R,5S,6R)-6-[(1E,3E)-1-Ethyl-4-[(1S,3aR,4S,5S,7aS)-1-ethyl-2,3,3a,4,5,7a-hexahydro-4-(1H-pyrrol-2-ylcarbonyl)-1H-inden-5-yl]-1,3-butadien-1-yl]tetrahydro-α,5-dimethyl-2H-pyran-2-acetic acid

Molecular Formula

C31H43NO4

Molecular Mass

493.68

Cite this Page

(αR,2R,5S,6R)-6-[(1E,3E)-1-Ethyl-4-[(1S,3aR,4S,5S,7aS)-1-ethyl-2,3,3a,4,5,7a-hexahydro-4-(1H-pyrrol-2-ylcarbonyl)-1H-inden-5-yl]-1,3-butadien-1-yl]tetrahydro-α,5-dimethyl-2H-pyran-2-acetic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=66513-28-8 (retrieved 2024-04-25) (CAS RN: 66513-28-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C31H43NO4/c1-5-21-13-16-25-24(21)15-14-23(28(25)29(33)26-11-8-18-32-26)10-7-9-22(6-2)30-19(3)12-17-27(36-30)20(4)31(34)35/h7-11,14-15,18-21,23-25,27-28,30,32H,5-6,12-13,16-17H2,1-4H3,(H,34,35)/b10-7+,22-9+/t19-,20+,21-,23+,24+,25+,27+,28+,30+/m0/s1

InChIKey

InChIKey=BAIPOTOKPGDCHA-MWBHXQFBSA-N

SMILES

C(=O)([C@H]1[C@]2([C@@]([C@@H](CC)CC2)(C=C[C@H]1/C=C/C=C(\CC)/[C@@H]3O[C@@]([C@H](C(O)=O)C)(CC[C@@H]3C)[H])[H])[H])C4=CC=CN4

Canonical SMILES

O=C(O)C(C)C1OC(C(=CC=CC2C=CC3C(CC)CCC3C2C(=O)C4=CC=CN4)CC)C(C)CC1

Other Names for this Substance

  • 2H-Pyran-2-acetic acid, 6-[(1E,3E)-1-ethyl-4-[(1S,3aR,4S,5S,7aS)-1-ethyl-2,3,3a,4,5,7a-hexahydro-4-(1H-pyrrol-2-ylcarbonyl)-1H-inden-5-yl]-1,3-butadien-1-yl]tetrahydro-α,5-dimethyl-, (αR,2R,5S,6R)-
  • 2H-Pyran-2-acetic acid, 6-[1-ethyl-4-[1-ethyl-2,3,3a,4,5,7a-hexahydro-4-(1H-pyrrol-2-ylcarbonyl)-1H-inden-5-yl]-1,3-butadienyl]tetrahydro-α,5-dimethyl-, [1S-[1α,3aβ,4β,5β[1E[2S*(S*),5R*,6S*],3E],7aα]]-
  • 2H-Pyran-2-acetic acid, 6-[(1E,3E)-1-ethyl-4-[(1S,3aR,4S,5S,7aS)-1-ethyl-2,3,3a,4,5,7a-hexahydro-4-(1H-pyrrol-2-ylcarbonyl)-1H-inden-5-yl]-1,3-butadienyl]tetrahydro-α,5-dimethyl-, (αR,2R,5S,6R)-
  • (αR,2R,5S,6R)-6-[(1E,3E)-1-Ethyl-4-[(1S,3aR,4S,5S,7aS)-1-ethyl-2,3,3a,4,5,7a-hexahydro-4-(1H-pyrrol-2-ylcarbonyl)-1H-inden-5-yl]-1,3-butadien-1-yl]tetrahydro-α,5-dimethyl-2H-pyran-2-acetic acid
  • X 14547A

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