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CHEBI:181621 - (4S,5'S,6R,7S,8R,9S,13S,16S,18S)-16-hydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-10-one

Default Structure
ChEBI IDCHEBI:181621
ChEBI Name(4S,5'S,6R,7S,8R,9S,13S,16S,18S)-16-hydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-10-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H42O4
Net Charge0
Average Mass430.629
Monoisotopic Mass430.30831
SMILES[H][C@@]12CCC3C4C[C@]5([H])O[C@]6(CC[C@H](C)CO6)[C@@H](C)[C@]5([H])[C@@]4(C)C(=O)CC3[C@@]1(C)CC[C@H](O)C2
InChIInChI=1S/C27H42O4/c1-15-7-10-27(30-14-15)16(2)24-22(31-27)12-21-19-6-5-17-11-18(28)8-9-25(17,3)20(19)13-23(29)26(21,24)4/h15-22,24,28H,5-14H2,1-4H3/t15-,16-,17-,18-,19?,20?,21?,22-,24-,25-,26+,27+/m0/s1
InChIKeyQOLRLLFJMZLYQJ-KVERTZGMSA-N
ChEBI Ontology
Outgoing Relation(s)
(4S,5'S,6R,7S,8R,9S,13S,16S,18S)-16-hydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-10-one (CHEBI:181621) is a triterpenoid (CHEBI:36615)
IUPAC Name 
(4S,5'S,6R,7S,8R,9S,13S,16S,18S)-16-hydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-10-one
Manual XrefsDatabases
29814517ChemSpider