Methyl (3aS,5R,6R,6aS)-1,3a,4,5,6,6a-hexahydro-5-hydroxy-6-[(1E,3S)-3-hydroxy-1-octen-1-yl]-2-pentalenepentanoate

CAS Registry Number®

88931-51-5

CAS Name

Methyl (3aS,5R,6R,6aS)-1,3a,4,5,6,6a-hexahydro-5-hydroxy-6-[(1E,3S)-3-hydroxy-1-octen-1-yl]-2-pentalenepentanoate

Molecular Formula

C22H36O4

Molecular Mass

364.52

Cite this Page

Methyl (3aS,5R,6R,6aS)-1,3a,4,5,6,6a-hexahydro-5-hydroxy-6-[(1E,3S)-3-hydroxy-1-octen-1-yl]-2-pentalenepentanoate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=88931-51-5 (retrieved 2024-11-22) (CAS RN: 88931-51-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C22H36O4/c1-3-4-5-9-18(23)11-12-19-20-14-16(13-17(20)15-21(19)24)8-6-7-10-22(25)26-2/h11-13,17-21,23-24H,3-10,14-15H2,1-2H3/b12-11+/t17-,18-,19+,20-,21+/m0/s1

InChIKey

InChIKey=QIGRQPVOWVHYBT-KABTVRTISA-N

SMILES

C(=C/[C@H](CCCCC)O)\[C@@H]1[C@@]2([C@@](C=C(CCCCC(OC)=O)C2)(C[C@H]1O)[H])[H]

Canonical SMILES

O=C(OC)CCCCC1=CC2CC(O)C(C=CC(O)CCCCC)C2C1

Other Names for this Substance

  • 2-Pentalenepentanoic acid, 1,3a,4,5,6,6a-hexahydro-5-hydroxy-6-[(1E,3S)-3-hydroxy-1-octen-1-yl]-, methyl ester, (3aS,5R,6R,6aS)-
  • 2-Pentalenepentanoic acid, 1,3a,4,5,6,6a-hexahydro-5-hydroxy-6-[(1E,3S)-3-hydroxy-1-octenyl]-, methyl ester, (3aS,5R,6R,6aS)-
  • Methyl (3aS,5R,6R,6aS)-1,3a,4,5,6,6a-hexahydro-5-hydroxy-6-[(1E,3S)-3-hydroxy-1-octen-1-yl]-2-pentalenepentanoate
  • TEI 9090
  • Isocarbacyclin methyl ester

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CAS INSIGHTSTM
Targeted protein degrader structure, illustration