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CHEBI:26661 - shidasterone

ChEBI IDCHEBI:26661
ChEBI Nameshidasterone
Stars
Last Modified7 December 2007
DownloadsMolfile
FormulaC27H42O6
Net Charge0
Average Mass462.627
Monoisotopic Mass462.29814
SMILES[H][C@]1([C@@](C)(O)C2CCC(C)(C)O2)CC[C@@]2(O)C3=CC(=O)[C@]4([H])C[C@@H](O)[C@@H](O)C[C@]4(C)[C@@]3([H])CC[C@]12C
InChIInChI=1S/C27H42O6/c1-23(2)9-8-22(33-23)26(5,31)21-7-11-27(32)16-12-18(28)17-13-19(29)20(30)14-24(17,3)15(16)6-10-25(21,27)4/h12,15,17,19-22,29-32H,6-11,13-14H2,1-5H3/t15-,17-,19+,20-,21-,22?,24+,25+,26+,27+/m0/s1
InChIKeyJWXMXJQGIRXWDG-SASGHFKCSA-N
ChEBI Ontology
Outgoing Relation(s)
shidasterone (CHEBI:26661) is a 14α-hydroxy steroid (CHEBI:36861)
shidasterone (CHEBI:26661) is a 20-hydroxy steroid (CHEBI:36854)
shidasterone (CHEBI:26661) is a 2β-hydroxy steroid (CHEBI:36859)
shidasterone (CHEBI:26661) is a 3β-hydroxy steroid (CHEBI:36836)
shidasterone (CHEBI:26661) is a 6-oxo steroid (CHEBI:36883)
shidasterone (CHEBI:26661) is a phytoecdysteroid (CHEBI:26118)
IUPAC Name 
2β,3β,14,20-tetrahydroxy-22,25-epoxy-5β-cholest-7-en-6-one
Synonym  Source
22,25-Oxido-5beta-cholest-7-en-6-one-2beta,3beta,14alpha,20-tetrolChemIDplus
Registry NumbersSources
CAS:26361-67-1ChemIDplus