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CHEBI:2528 - Ajugasterone C

ChEBI IDCHEBI:2528
ChEBI NameAjugasterone C
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC27H44O7
Net Charge0
Average Mass480.642
Monoisotopic Mass480.30870
SMILES[H][C@]1([C@@](C)(O)[C@H](O)CCC(C)C)CC[C@@]2(O)C3=CC(=O)[C@]4([H])C[C@@H](O)[C@@H](O)C[C@]4(C)[C@@]3([H])[C@H](O)C[C@]12C
InChIInChI=1S/C27H44O7/c1-14(2)6-7-22(32)26(5,33)21-8-9-27(34)16-11-17(28)15-10-18(29)19(30)12-24(15,3)23(16)20(31)13-25(21,27)4/h11,14-15,18-23,29-34H,6-10,12-13H2,1-5H3/t15-,18+,19-,20+,21-,22+,23+,24-,25+,26+,27+/m0/s1
InChIKeyLQGNCUXDDPRDJH-UKTRSHMFSA-N
ChEBI Ontology
Outgoing Relation(s)
Ajugasterone C (CHEBI:2528) is a steroid (CHEBI:35341)
Synonym  Source
Ajugasterone CKEGG COMPOUND
Manual XrefsDatabases
C08811KEGG COMPOUND
C00003643KNApSAcK
Registry NumbersSources
CAS:23044-80-6KEGG COMPOUND