CHEBI:28485 - polypodine B

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name polypodine B
ChEBI ID CHEBI:28485
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:8316, CHEBI:26198
Supplier Information
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Formulae C27H44O8
C27H44O8
Net Charge 0
Average Mass 496.63350
Monoisotopic Mass 496.30362
InChI InChI=1S/C27H44O8/c1-22(2,32)9-8-20(30)25(5,33)19-7-11-26(34)16-12-21(31)27(35)14-18(29)17(28)13-24(27,4)15(16)6-10-23(19,26)3/h12,15,17-20,28-30,32-35H,6-11,13-14H2,1-5H3/t15-,17-,18+,19-,20+,23+,24+,25+,26+,27+/m0/s1
InChIKey GMFLGNRCCFYOKL-ACCCYTKYSA-N
SMILES CC(C)(O)CC[C@@H](O)[C@](C)(O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@]4(O)C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C
ChEBI Ontology
Outgoing polypodine B (CHEBI:28485) is a 14α-hydroxy steroid (CHEBI:36861)
polypodine B (CHEBI:28485) is a 2β-hydroxy steroid (CHEBI:36859)
polypodine B (CHEBI:28485) is a 20-hydroxy steroid (CHEBI:36854)
polypodine B (CHEBI:28485) is a 22-hydroxy steroid (CHEBI:36863)
polypodine B (CHEBI:28485) is a 26-hydroxy steroid (CHEBI:36852)
polypodine B (CHEBI:28485) is a 3β-hydroxy steroid (CHEBI:36836)
polypodine B (CHEBI:28485) is a 5β-hydroxy steroid (CHEBI:38195)
polypodine B (CHEBI:28485) is a 6-oxo steroid (CHEBI:36883)
polypodine B (CHEBI:28485) is a phytoecdysteroid (CHEBI:26118)
polypodine B (CHEBI:28485) is a tertiary α-hydroxy ketone (CHEBI:139592)
IUPAC Name
(2β,3β,5β,22R)-2,3,5,14,20,22,25-heptahydroxycholest-7-en-6-one
Synonyms Sources
2β,3β,5β,14,20,22R,25-heptahydroxycholest-7-en-6-one ChemIDplus
Polypodine B KEGG COMPOUND
Manual Xrefs Databases
C00003666 KNApSAcK
C08834 KEGG COMPOUND
View more database links
Registry Numbers Types Sources
18069-14-2 CAS Registry Number ChemIDplus
4770654 Beilstein Registry Number Beilstein
Last Modified
07 February 2018