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CHEBI:135824 - meproscillarin

Default Structure
ChEBI IDCHEBI:135824
ChEBI Namemeproscillarin
Stars
Last Modified23 February 2017
DownloadsMolfile
FormulaC31H44O8
Net Charge0
Average Mass544.685
Monoisotopic Mass544.30362
SMILES[H][C@@]1(O[C@@H]2C=C3CC[C@]4([H])[C@]([H])(CC[C@]5(C)[C@@H](c6ccc(=O)oc6)CC[C@]45O)[C@@]3(C)CC2)O[C@@H](C)[C@H](OC)[C@@H](O)[C@H]1O
InChIInChI=1S/C31H44O8/c1-17-27(36-4)25(33)26(34)28(38-17)39-20-9-12-29(2)19(15-20)6-7-23-22(29)10-13-30(3)21(11-14-31(23,30)35)18-5-8-24(32)37-16-18/h5,8,15-17,20-23,25-28,33-35H,6-7,9-14H2,1-4H3/t17-,20-,21+,22-,23+,25-,26+,27-,28-,29-,30+,31-/m0/s1
InChIKeyRKWPZPDLTYBKCL-RVZGXXANSA-N
ChEBI Ontology
Outgoing Relation(s)
meproscillarin (CHEBI:135824) has functional parent bufanolide (CHEBI:22934)
meproscillarin (CHEBI:135824) is a steroid lactone (CHEBI:26766)
Synonyms  Source
methyl proscillaridinDrugCentral
Methyl proscillaridin ADrugCentral
Proscillaridin 4-methyl etherDrugCentral
Manual XrefsDatabases
1705DrugCentral
Registry NumbersSources
CAS:33396-37-1DrugCentral