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clavulone II

Go to external page http://purl.obolibrary.org/obo/CHEBI_34643

Term info

Label

clavulone II

Synonyms
  • Clavulone II
  • methyl (4R,5E,7E,14Z)-4,12-bis(acetyloxy)-9-oxo-12alpha-prosta-5,7,10,14-tetraen-1-oate
database cross reference
Subsets

3_STAR

IUPAC NAME
methyl (4R,5E,7E,14Z)-4,12-bis(acetyloxy)-9-oxo-12alpha-prosta-5,7,10,14-tetraen-1-oate [ IUPAC ]

charge

0

formula

C25H34O7

has obo namespace

chebi_ontology

id

CHEBI:34643

inchi

InChI=1S/C25H34O7/c1-5-6-7-8-9-10-17-25(32-20(3)27)18-16-23(28)22(25)13-11-12-21(31-19(2)26)14-15-24(29)30-4/h9-13,16,18,21H,5-8,14-15,17H2,1-4H3/b10-9-,12-11+,22-13-/t21-,25-/m0/s1

inchikey

QXSYLWTUKSQQCP-VZCZYXORSA-N

mass

446.53326

monoisotopicmass

446.23045

smiles

CCCCC\C=C/C[C@]1(OC(C)=O)C=CC(=O)/C1=C/C=C/[C@@H](CCC(=O)OC)OC(C)=O