Molecule record

(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

360.49 g/mol

Loading structure

Molecular properties

Formula: C₂₂H₃₂O₄
Molar mass: 360.49 g·mol⁻¹
Exact mass: 360.2301 Da
: 7
PubChem CID: 5311181

Functional groups

Alcohol

Alkane / alkyl carbon

Alkene

Alkyne

Carboxylic acid

Physical properties

No source-backed physical properties are curated for this molecule yet.

Common names and synonyms

5-cis Iloprost
73873-87-7
78919-13-8
Aurlumyn
B01AC11
CHEBI:63916
CHEMBL494
Ciloprost

Show all 24 synonyms

DTXCID001333799
DTXSID2041046
Endoprost
ILOPROST
Ilomedin
Iloprost Clathrate
Iloprostum
JED5K35YGL
Pentanoic acid, 5-(hexahydro-5-hydroxy-4-(3-hydroxy-4-methyl-1-octen-6-ynyl)-2(1H)-pentalenylidene)-
RefChem:56820
Ventavis
Ventavis (TN)
ZK 00036374
ZK-36374
ZK36374
[3H]-Iloprost

Structure identifiers

Canonical SMILES: CC#CCC(C)[C@H](O)/C=C/[C@@H]1[C@H]2C/C(=C/CCCC(=O)O)C[C@H]2C[C@H]1O
Isomeric SMILES: CC#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
InChI: InChI=1S/C22H32O4/c1-3-4-7-15(2)20(23)11-10-18-19-13-16(8-5-6-9-22(25)26)12-17(19)14-21(18)24/h8,10-11,15,17-21,23-24H,5-7,9,12-14H2,1-2H3,(H,25,26)/b11-10+,16-8+/t15?,17-,18+,19-,20+,21+/m0/s1
InChIKey: HIFJCPQKFCZDDL-ACWOEMLNSA-N
PubChem CID: 5311181

Spectroscopy

Tabs appear only for spectra stored with clear provenance.

Open library

No redistributable or simulated spectroscopy record is attached yet.

Simulated NMR

On-demand educational prediction for (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; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for (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; not experimental data.

Sources

Molecule identity

Retrieved 8/20/2026. Reuse status is summarized by the badge; open the source for full details.

PubChem(link only)

Open source record