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CHEBI:752040 - ciprostene calcium

Default Structure
ChEBI IDCHEBI:752040
ChEBI Nameciprostene calcium
Stars
Last Modified29 June 2026
SubmitterChEMBL
DownloadsMolfile
FormulaC22H35O4.C22H35O4.Ca
Net Charge0
Average Mass767.114
Monoisotopic Mass766.46966
SMILES[Ca+2].[H][C@]12C/C(=C/CCCC(=O)[O-])C[C@@]1(C)C[C@@H](O)[C@@H]2/C=C/[C@@H](O)CCCCC.[H][C@]12C/C(=C/CCCC(=O)[O-])C[C@@]1(C)C[C@@H](O)[C@@H]2/C=C/[C@@H](O)CCCCC
InChIInChI=1S/2C22H36O4.Ca/c2*1-3-4-5-9-17(23)11-12-18-19-13-16(8-6-7-10-21(25)26)14-22(19,2)15-20(18)24;/h2*8,11-12,17-20,23-24H,3-7,9-10,13-15H2,1-2H3,(H,25,26);/q;;+2/p-2/b2*12-11+,16-8-;/t2*17-,18+,19+,20+,22-;/m00./s1
InChIKeyNJTMVDAFPIEZAJ-BMKVUGPNSA-L
ChEBI Ontology
Outgoing Relation(s)
ciprostene calcium (CHEBI:752040) is a monoterpenoid (CHEBI:25409)
Synonyms  Source
Ciprostene calciumChEMBL
U-61,431FChEMBL
U-61431FChEMBL