(Q2718713)

5-cis Iloprost (English)

10 October 2016

chemical formula

C₂₂H₃₂O₄

1 reference

5-cis Iloprost (English)

10 October 2016

canonical SMILES

CC#CCC(C)C(C=CC1C(CC2C1CC(=CCCCC(=O)O)C2)O)O

1 reference

5-cis Iloprost (English)

10 October 2016

isomeric SMILES

CC#CCC(C)[C@@H](C=CC1[C@@H](C[C@H]2[C@@H]1CC(=CCCCC(=O)O)C2)O)O

1 reference

5-cis Iloprost (English)

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)/t15?,17-,18?,19-,20+,21+/m0/s1

10 October 2016

Identifiers

InChI

1 reference

5-cis Iloprost (English)

HIFJCPQKFCZDDL-NYBPDPFASA-N

10 October 2016

InChIKey

2 references

5-cis Iloprost (English)

reason for deprecated rank

10 October 2016

stated in

ChEBI release 2020-09-01

CAS Registry Number

73873-87-7

withdrawn identifier value

1 reference

imported from Wikimedia project

1 reference

(5E)-5-[(3aS,5R,6aS)-5-Hydroxy-4-[(1E,3S)-3-hydroxy-4-methyl-1-octen-6-yn-1-yl]hexahydro-2(1H)-pentalenylidene]pentanoic acid (English)

10 October 2016

0 references

mapping relation type

1 reference