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CHEBI:28688 - podecdysone B

ChEBI IDCHEBI:28688
ChEBI Namepodecdysone B
Stars
DefinitionA phytoecdysteroid that consists of 5β-cholesta-8,14-dien-6-one bearing five hydroxy substituents at positions 2, 3, 20, 22 and 25.
Secondary ChEBI IDsCHEBI:8276, CHEBI:26165
Last Modified28 July 2014
DownloadsMolfile
FormulaC27H42O6
Net Charge0
Average Mass462.627
Monoisotopic Mass462.29814
SMILES[H][C@]1([C@@](C)(O)[C@H](O)CCC(C)(C)O)CC=C2C3=C(CC[C@@]21C)[C@@]1(C)C[C@H](O)[C@H](O)C[C@@]1([H])C(=O)C3
InChIInChI=1S/C27H42O6/c1-24(2,32)10-9-23(31)27(5,33)22-7-6-16-15-12-19(28)18-13-20(29)21(30)14-26(18,4)17(15)8-11-25(16,22)3/h6,18,20-23,29-33H,7-14H2,1-5H3/t18-,20+,21-,22-,23+,25-,26+,27+/m0/s1
InChIKeyAEFMTBQZWMUASH-IILZZRPCSA-N
ChEBI Ontology
Outgoing Relation(s)
podecdysone B (CHEBI:28688) is a 20-hydroxy steroid (CHEBI:36854)
podecdysone B (CHEBI:28688) is a 22-hydroxy steroid (CHEBI:36863)
podecdysone B (CHEBI:28688) is a 26-hydroxy steroid (CHEBI:36852)
podecdysone B (CHEBI:28688) is a 2β-hydroxy steroid (CHEBI:36859)
podecdysone B (CHEBI:28688) is a 3β-hydroxy steroid (CHEBI:36836)
podecdysone B (CHEBI:28688) is a 6-oxo steroid (CHEBI:36883)
podecdysone B (CHEBI:28688) is a phytoecdysteroid (CHEBI:26118)
IUPAC Name 
(22R)-2β,3β,20,22,25-pentahydroxy-5β-cholesta-8,14-dien-6-one
Synonym  Source
Podecdysone BKEGG COMPOUND
Manual XrefsDatabases
C08832KEGG COMPOUND
C00003664KNApSAcK
Registry NumbersSources
Reaxys:6544369Reaxys
CAS:22612-27-7KEGG COMPOUND