Terminology Service for NFDI4Health
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oleoyl neocryptotanshinone

Go to external page http://purl.obolibrary.org/obo/CHEBI_66820

A diterpenoid with a fatty acyl side chain isolated from Salvia miltiorrhiza and has been shown to inhibit platelet aggregation induced by arachidonic acid.

Term info

Label

oleoyl neocryptotanshinone

Synonyms
  • 2-(3-hydroxy-8,8-dimethyl-1,4-dioxo-1,4,5,6,7,8-hexahydrophenanthren-2-yl)propyl (9Z)-octadec-9-enoate
database cross reference
Subsets

3_STAR

IUPAC NAME
2-(3-hydroxy-8,8-dimethyl-1,4-dioxo-1,4,5,6,7,8-hexahydrophenanthren-2-yl)propyl (9Z)-octadec-9-enoate [ IUPAC ]

charge

0

formula

C37H54O5

has obo namespace

chebi_ontology

id

CHEBI:66820

inchi

InChI=1S/C37H54O5/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-31(38)42-26-27(2)32-34(39)29-23-24-30-28(21-20-25-37(30,3)4)33(29)36(41)35(32)40/h12-13,23-24,27,40H,5-11,14-22,25-26H2,1-4H3/b13-12-

inchikey

ZDZOJQPZBICBMD-SEYXRHQNSA-N

mass

578.82170

monoisotopicmass

578.39712

smiles

CCCCCCCC\C=C/CCCCCCCC(=O)OCC(C)C1=C(O)C(=O)c2c3CCCC(C)(C)c3ccc2C1=O