CHEBI:2528 - Ajugasterone C

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Ajugasterone C
ChEBI ID CHEBI:2528
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C27H44O7
Net Charge 0
Average Mass 480.635
Monoisotopic Mass 480.30870
InChI InChI=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
InChIKey LQGNCUXDDPRDJH-UKTRSHMFSA-N
SMILES CC(C)CC[C@@H](O)[C@](C)(O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3[C@H](O)C[C@]12C
ChEBI Ontology
Outgoing Ajugasterone C (CHEBI:2528) is a steroid (CHEBI:35341)
Synonym Source
Ajugasterone C KEGG COMPOUND
Manual Xrefs Databases
C00003643 KNApSAcK
C08811 KEGG COMPOUND
View more database links
Registry Number Type Source
23044-80-6 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014