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CHEBI:181551 - (1R,3aS,5aS,5bR,11aR,13aR)-5b,8,8,11a-tetramethyl-9-oxo-1-prop-1-en-2-yl-2,3,4,5,6,7,7a,10,11,11b,12,13,13a,13b-tetradecahydro-1H-cyclopenta[a]chrysene-3a,5a-dicarboxylic acid

Default Structure
ChEBI IDCHEBI:181551
ChEBI Name(1R,3aS,5aS,5bR,11aR,13aR)-5b,8,8,11a-tetramethyl-9-oxo-1-prop-1-en-2-yl-2,3,4,5,6,7,7a,10,11,11b,12,13,13a,13b-tetradecahydro-1H-cyclopenta[a]chrysene-3a,5a-dicarboxylic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H44O5
Net Charge0
Average Mass484.677
Monoisotopic Mass484.31887
SMILES[H][C@]12CCC3[C@@]4(C)CCC(=O)C(C)(C)C4CC[C@@]3(C)[C@]1(C(=O)O)CC[C@@]1(C(=O)O)CCC(C(=C)C)C12
InChIInChI=1S/C30H44O5/c1-17(2)18-9-14-29(24(32)33)15-16-30(25(34)35)19(23(18)29)7-8-21-27(5)12-11-22(31)26(3,4)20(27)10-13-28(21,30)6/h18-21,23H,1,7-16H2,2-6H3,(H,32,33)(H,34,35)/t18?,19-,20?,21?,23?,27+,28-,29+,30-/m1/s1
InChIKeyKLJFTUNIPQRKKH-VWNYDUDGSA-N
ChEBI Ontology
Outgoing Relation(s)
(1R,3aS,5aS,5bR,11aR,13aR)-5b,8,8,11a-tetramethyl-9-oxo-1-prop-1-en-2-yl-2,3,4,5,6,7,7a,10,11,11b,12,13,13a,13b-tetradecahydro-1H-cyclopenta[a]chrysene-3a,5a-dicarboxylic acid (CHEBI:181551) is a triterpenoid (CHEBI:36615)
IUPAC Name 
(1R,3aS,5aS,5bR,11aR,13aR)-5b,8,8,11a-tetramethyl-9-oxo-1-prop-1-en-2-yl-2,3,4,5,6,7,7a,10,11,11b,12,13,13a,13b-tetradecahydro-1H-cyclopenta[a]chrysene-3a,5a-dicarboxylic acid
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