CHEBI:28688 - podecdysone B

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name podecdysone B
ChEBI ID CHEBI:28688
Definition A phytoecdysteroid that consists of 5β-cholesta-8,14-dien-6-one bearing five hydroxy substituents at positions 2, 3, 20, 22 and 25.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:26165, CHEBI:8276
Supplier Information
Download Molfile XML SDF
Formula C27H42O6
Net Charge 0
Average Mass 462.61878
Monoisotopic Mass 462.29814
InChI InChI=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
InChIKey AEFMTBQZWMUASH-IILZZRPCSA-N
SMILES [H][C@@]12C[C@@H](O)[C@@H](O)C[C@]1(C)C1=C(CC2=O)C2=CC[C@]([H])([C@@](C)(O)[C@H](O)CCC(C)(C)O)[C@@]2(C)CC1
ChEBI Ontology
Outgoing podecdysone B (CHEBI:28688) is a 2β-hydroxy steroid (CHEBI:36859)
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 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 B KEGG COMPOUND
Manual Xrefs Databases
C00003664 KNApSAcK
C08832 KEGG COMPOUND
View more database links
Registry Numbers Types Sources
22612-27-7 CAS Registry Number KEGG COMPOUND
6544369 Reaxys Registry Number Reaxys
6544369 Beilstein Registry Number Beilstein
Last Modified
28 July 2014