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CHEBI:204506 - 3beta-hydroxy-4beta-hydroxymethylfusida-17(20)[16,20-cis], 24-diene

Default Structure
ChEBI IDCHEBI:204506
ChEBI Name3beta-hydroxy-4beta-hydroxymethylfusida-17(20)[16,20-cis], 24-diene
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H48O2
Net Charge0
Average Mass440.712
Monoisotopic Mass440.36543
SMILESCC(C)=CCC/C(C)=C1/CC[C@@]2(C)[C@H]1CC[C@H]1[C@@]3(C)C=C[C@H](O)[C@](C)(CO)[C@@H]3CC[C@@]12C
InChIInChI=1S/C30H48O2/c1-20(2)9-8-10-21(3)22-13-17-29(6)23(22)11-12-25-27(4)16-15-26(32)28(5,19-31)24(27)14-18-30(25,29)7/h9,15-16,23-26,31-32H,8,10-14,17-19H2,1-7H3/b22-21-/t23-,24+,25-,26-,27-,28+,29-,30-/m0/s1
InChIKeyMTIYOZFYDLUWDQ-GNYNZBLASA-N
Species of MetaboliteComponentSourceComments
Cephalosporium caerulens (ncbitaxon:150420) - DOI (10.1016/s0040-4039(00)75953-3)
ChEBI Ontology
Outgoing Relation(s)
3beta-hydroxy-4beta-hydroxymethylfusida-17(20)[16,20-cis], 24-diene (CHEBI:204506) is a triterpenoid (CHEBI:36615)
IUPAC Name 
(3S,4S,5R,8S,9S,10R,13S,14S,17Z)-4-(hydroxymethyl)-4,8,10,14-tetramethyl-17-(6-methylhept-5-en-2-ylidene)-3,5,6,7,9,11,12,13,15,16-decahydrocyclopenta[a]phenanthren-3-ol
Manual XrefsDatabases
78437149ChemSpider