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CHEBI:28485 - polypodine B

ChEBI IDCHEBI:28485
ChEBI Namepolypodine B
Stars
Secondary ChEBI IDsCHEBI:8316, CHEBI:26198
Last Modified7 February 2018
DownloadsMolfile
FormulaC27H44O8
Net Charge0
Average Mass496.641
Monoisotopic Mass496.30362
SMILES[H][C@]1([C@@](C)(O)[C@H](O)CCC(C)(C)O)CC[C@@]2(O)C3=CC(=O)[C@]4(O)C[C@@H](O)[C@@H](O)C[C@]4(C)[C@@]3([H])CC[C@]12C
InChIInChI=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
InChIKeyGMFLGNRCCFYOKL-ACCCYTKYSA-N
ChEBI Ontology
Outgoing Relation(s)
polypodine B (CHEBI:28485) is a 14α-hydroxy steroid (CHEBI:36861)
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 2β-hydroxy steroid (CHEBI:36859)
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  Source
Polypodine BKEGG COMPOUND
2β,3β,5β,14,20,22R,25-heptahydroxycholest-7-en-6-oneChemIDplus
Manual XrefsDatabases
C08834KEGG COMPOUND
C00003666KNApSAcK
Registry NumbersSources
Beilstein:4770654Beilstein
CAS:18069-14-2KEGG COMPOUND
CAS:18069-14-2ChemIDplus