CHEBI:28135 - ponasterone A

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name ponasterone A
ChEBI ID CHEBI:28135
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:26210, CHEBI:8331
Supplier Information
Download Molfile XML SDF
Formula C27H44O6
Net Charge 0
Average Mass 464.63466
Monoisotopic Mass 464.31379
InChI InChI=1S/C27H44O6/c1-15(2)6-7-23(31)26(5,32)22-9-11-27(33)17-12-19(28)18-13-20(29)21(30)14-24(18,3)16(17)8-10-25(22,27)4/h12,15-16,18,20-23,29-33H,6-11,13-14H2,1-5H3/t16-,18-,20+,21-,22-,23+,24+,25+,26+,27+/m0/s1
InChIKey PJYYBCXMCWDUAZ-JJJZTNILSA-N
SMILES [H][C@]12CC[C@]3(C)[C@]([H])(CC[C@@]3(O)C1=CC(=O)[C@]1([H])C[C@@H](O)[C@@H](O)C[C@]21C)[C@@](C)(O)[C@H](O)CCC(C)C
ChEBI Ontology
Outgoing ponasterone A (CHEBI:28135) is a 14α-hydroxy steroid (CHEBI:36861)
ponasterone A (CHEBI:28135) is a 2β-hydroxy steroid (CHEBI:36859)
ponasterone A (CHEBI:28135) is a 20-hydroxy steroid (CHEBI:36854)
ponasterone A (CHEBI:28135) is a 22-hydroxy steroid (CHEBI:36863)
ponasterone A (CHEBI:28135) is a 3β-hydroxy steroid (CHEBI:36836)
ponasterone A (CHEBI:28135) is a 6-oxo steroid (CHEBI:36883)
ponasterone A (CHEBI:28135) is a phytoecdysteroid (CHEBI:26118)
IUPAC Name
(22R)-2β,3β,14,20,22-pentahydroxy-5β-cholest-7-en-6-one
Synonyms Sources
25-Deoxycedysterone ChemIDplus
Ponasterone A KEGG COMPOUND
Manual Xrefs Databases
C00003667 KNApSAcK
C08835 KEGG COMPOUND
P1A PDBeChem
View more database links
Registry Numbers Types Sources
13408-56-5 CAS Registry Number KEGG COMPOUND
2422988 Beilstein Registry Number Beilstein
Last Modified
28 July 2014