OntologieschebiclassesCHEBI:136768   
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24-epi-cathasterone-22-O-sulfate
http://purl.obolibrary.org/obo/CHEBI_136768

A brassinosteroid that is 24-epi-cathasterone on which the hydroxy hydrogen at position 22 has been replaced by a sulfo group.

Also appears inslm
Exact Synonyms
(22S)-3beta-hydroxy-6-oxo-5alpha-ergostan-22-yl hydrogen sulfate
Related Synonyms
(3beta,5alpha,22S)-3-hydroxy-6-oxoergostan-22-yl hydrogen sulfate
24-epi-cathasterone-22-sulfate
24-epicathasterone-22-O-sulfate
class Information
charge

0

formula

C28H48O6S

has_obo_namespace

chebi_ontology

inchi

InChI=1S/C28H48O6S/c1-16(2)17(3)13-26(34-35(31,32)33)18(4)21-7-8-22-20-15-25(30)24-14-19(29)9-11-28(24,6)23(20)10-12-27(21,22)5/h16-24,26,29H,7-15H2,1-6H3,(H,31,32,33)/t17-,18-,19-,20-,21+,22-,23-,24+,26-,27+,28+/m0/s1

inchikey

MMHKTOGFTDNQOU-QDUMAPLTSA-N

in_subset

3_STAR

mass

512.744

monoisotopicmass

512.31716

smiles

C1[C@@]2([C@]3(CC[C@]4([C@]([C@@]3(CC([C@]2(C[C@H](C1)O)[H])=O)[H])(CC[C@@]4([C@@H]([C@H](C[C@@H](C(C)C)C)OS(O)(=O)=O)C)[H])[H])C)[H])C

class Relations