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CHEBI:3953 - Cucurbitacin S

ChEBI IDCHEBI:3953
ChEBI NameCucurbitacin S
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC30H42O6
Net Charge0
Average Mass498.660
Monoisotopic Mass498.29814
SMILES[H][C@]12[C@H](C)C(=O)C[C@@H](C(C)(C)O)O[C@@H]1C[C@@]1(C)[C@]3([H])CC=C4C(C)(C)C(=O)C(O)=C[C@@]4([H])[C@]3(C)C(=O)C[C@]21C
InChIInChI=1S/C30H42O6/c1-15-18(31)12-23(27(4,5)35)36-20-13-28(6)21-10-9-16-17(11-19(32)25(34)26(16,2)3)30(21,8)22(33)14-29(28,7)24(15)20/h9,11,15,17,20-21,23-24,32,35H,10,12-14H2,1-8H3/t15-,17-,20-,21+,23+,24+,28+,29-,30+/m1/s1
InChIKeyMBYLRWSUZLFUTO-PQNVQGKDSA-N
ChEBI Ontology
Outgoing Relation(s)
Cucurbitacin S (CHEBI:3953) is a 11-oxo steroid (CHEBI:47787)
Synonym  Source
Cucurbitacin SKEGG COMPOUND
Manual XrefsDatabases
C08806KEGG COMPOUND
C00003694KNApSAcK
Registry NumbersSources
CAS:60137-06-6KEGG COMPOUND