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CHEBI:182439 - (1R,2R,5S,8R,14R,15R,16S)-16-hydroxy-1,2,14,17,17-pentamethyl-8-prop-1-en-2-ylpentacyclo[11.7.0.02,10.05,9.014,18]icosane-5,15-dicarboxylic acid

Default Structure
ChEBI IDCHEBI:182439
ChEBI Name(1R,2R,5S,8R,14R,15R,16S)-16-hydroxy-1,2,14,17,17-pentamethyl-8-prop-1-en-2-ylpentacyclo[11.7.0.02,10.05,9.014,18]icosane-5,15-dicarboxylic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H46O5
Net Charge0
Average Mass486.693
Monoisotopic Mass486.33452
SMILESC=C(C)C1CC[C@]2(C(=O)O)CC[C@]3(C)C(CCC4[C@]5(C)C(CC[C@]43C)C(C)(C)[C@@H](O)[C@@H]5C(=O)O)C12
InChIInChI=1S/C30H46O5/c1-16(2)17-10-13-30(25(34)35)15-14-27(5)18(21(17)30)8-9-20-28(27,6)12-11-19-26(3,4)23(31)22(24(32)33)29(19,20)7/h17-23,31H,1,8-15H2,2-7H3,(H,32,33)(H,34,35)/t17?,18?,19?,20?,21?,22-,23+,27-,28-,29+,30+/m1/s1
InChIKeyWLCHQSHZHFLMJH-ZPAXDSGNSA-N
ChEBI Ontology
Outgoing Relation(s)
(1R,2R,5S,8R,14R,15R,16S)-16-hydroxy-1,2,14,17,17-pentamethyl-8-prop-1-en-2-ylpentacyclo[11.7.0.02,10.05,9.014,18]icosane-5,15-dicarboxylic acid (CHEBI:182439) is a triterpenoid (CHEBI:36615)
IUPAC Name 
(1R,2R,5S,8R,14R,15R,16S)-16-hydroxy-1,2,14,17,17-pentamethyl-8-prop-1-en-2-ylpentacyclo[11.7.0.02,10.05,9.014,18]icosane-5,15-dicarboxylic acid
Manual XrefsDatabases
8272474ChemSpider