(3aS,5R,6R,6aS)-1,3a,4,5,6,6a-Hexahydro-5-hydroxy-6-[(1E,3S)-3-hydroxy-1-octenyl]-2-pentalenepentanoic acid

CAS Registry Number®

88911-35-7

CAS Name

(3aS,5R,6R,6aS)-1,3a,4,5,6,6a-Hexahydro-5-hydroxy-6-[(1E,3S)-3-hydroxy-1-octenyl]-2-pentalenepentanoic acid

Molecular Formula

C21H34O4

Molecular Mass

350.49

Cite this Page

(3aS,5R,6R,6aS)-1,3a,4,5,6,6a-Hexahydro-5-hydroxy-6-[(1E,3S)-3-hydroxy-1-octenyl]-2-pentalenepentanoic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=88911-35-7 (retrieved 2024-11-22) (CAS RN: 88911-35-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    78-79.5 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C21H34O4/c1-2-3-4-8-17(22)10-11-18-19-13-15(7-5-6-9-21(24)25)12-16(19)14-20(18)23/h10-12,16-20,22-23H,2-9,13-14H2,1H3,(H,24,25)/b11-10+/t16-,17-,18+,19-,20+/m0/s1

InChIKey

InChIKey=JANVYOZZTKSZGN-WCAFQOMDSA-N

SMILES

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

Canonical SMILES

O=C(O)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-octenyl]-, (3aS,5R,6R,6aS)-
  • 2-Pentalenepentanoic acid, 1,3a,4,5,6,6a-hexahydro-5-hydroxy-6-(3-hydroxy-1-octenyl)-, [3aS-[3aα,5β,6α(1E,3R*),6aα]]-
  • (3aS,5R,6R,6aS)-1,3a,4,5,6,6a-Hexahydro-5-hydroxy-6-[(1E,3S)-3-hydroxy-1-octenyl]-2-pentalenepentanoic acid
  • Isocarbacyclin
  • TEI 7165

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