5-((3aS,4R,5R,6aS,E)-5-hydroxy-4-((3R,E)-3-hydroxy-4-methyloct-1-en-6-yn-1-yl)hexahydropentalen-2(1H)-ylidene)pentanoic acid, 95%

cas: 85026-51-3 — see every product listed under this CAS number, including other names

5-((3aS,4R,5R,6aS,E)-5-hydroxy-4-((3R,E)-3-hydroxy-4-methyloct-1-en-6-yn-1-yl)hexahydropentalen-2(1H)-ylidene)pentanoic acid, 95% (CAS 85026-51-3) is a chemical reagent available from Chemat. Available pack sizes: on request. Offered by: Chemat Brand.

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catalog numberACTIVA746
cas85026-51-3
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(5E)-5-[(3aS,4R,5R,6aS)-5-hydroxy-4-[(E,3R)-3-hydroxy-4-methyloct-1-en-6-ynyl]-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-ylidene]pentanoic acid (CAS 85026-51-3) is a chemical compound with the molecular formula C22H32O4 and a molecular weight of 360.5 g/mol. IUPAC name: (5E)-5-[(3aS,4R,5R,6aS)-5-hydroxy-4-[(E,3R)-3-hydroxy-4-methyloct-1-en-6-ynyl]-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-ylidene]pentanoic acid. InChIKey: HIFJCPQKFCZDDL-GAGQTBDJSA-N.

Identity
Molecular formulaC22H32O4
Molecular weight360.5 g/mol
IUPAC name(5E)-5-[(3aS,4R,5R,6aS)-5-hydroxy-4-[(E,3R)-3-hydroxy-4-methyloct-1-en-6-ynyl]-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-ylidene]pentanoic acid
InChIKeyHIFJCPQKFCZDDL-GAGQTBDJSA-N
SMILESCC#CCC(C)[C@H](/C=C/[C@H]1[C@@H](C[C@H]2[C@@H]1C/C(=C/CCCC(=O)O)/C2)O)O

Computed by PubChem (NCBI)

Synonyms: Iloprost Impurity 1, Curator_000011
Related forms of this compound
(5E)-5-[(3aS,4R,5R,6aS)-5-hydroxy-4-[(E,3S,4S)-3-hydroxy-4-methyloct-1-en-6-ynyl]-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-ylidene]pentanoic acid C22H32O4
(5E)-5-[(3aS,4R,5R,6aS)-5-hydroxy-4-[(E,3S)-3-hydroxy-4-methyloct-1-en-6-ynyl]-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-ylidene]pentanoic acid C22H32O4
(5E)-5-[(3aS,4R,5R,6aS)-5-hydroxy-4-[(E,3S,4R)-3-hydroxy-4-methyloct-1-en-6-ynyl]-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-ylidene]pentanoic acid C22H32O4
(5E)-5-[(3aS,4R,5R,6aS)-5-hydroxy-4-[(E,3S)-3-hydroxy-4-methyloct-1-en-6-ynyl]-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-ylidene]-3,3,4,4-tetradeuteriopentanoic acid C22H32O4
(5Z)-5-[(3aS,4R,5R,6aS)-5-hydroxy-4-[(E,3S)-3-hydroxy-4-methyloct-1-en-6-ynyl]-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-ylidene]pentanoic acid C22H32O4
Isomers (same molecular formula)
(4Z,7Z,10S,11E,13Z,15E,17S,19Z)-10,17-dihydroxydocosa-4,7,11,13,15,19-hexaenoic acid C22H32O4
(6R,8S,9S,10R,11S,13S,14S,17R)-17-acetyl-11,17-dihydroxy-6,10,13-trimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one C22H32O4
(4Z,7Z,9E,11E,13R,14S,16Z,19Z)-13,14-dihydroxydocosa-4,7,9,11,16,19-hexaenoic acid C22H32O4
(7S,14R)-7,14-dihydroxydocosa-4,8,10,12,16,19-hexaenoic acid C22H32O4
(4Z,7R,8E,10E,12Z,14S,16Z,19Z)-7,14-dihydroxydocosa-4,8,10,12,16,19-hexaenoic acid C22H32O4
(6S,8S,9S,10R,11S,13S,14S,17R)-17-acetyl-11,17-dihydroxy-6,10,13-trimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one C22H32O4
3-[(2E)-3,7-dimethylocta-2,6-dienyl]-2,4-dihydroxy-6-pentylbenzoic acid C22H32O4

Also listed as

15(R)–Iloprost GLPBio CAS 85026-51-3
15(R)-Iloprost MedChemExpress CAS 85026-51-3