EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:175731 - Rubitic acid

Default Structure
ChEBI IDCHEBI:175731
ChEBI NameRubitic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H48O4
Net Charge0
Average Mass472.710
Monoisotopic Mass472.35526
SMILES[H][C@]12CC=C3[C@@](C)(CC[C@@]4(C(=O)O)CC[C@@H](C)[C@H](C)[C@@]34[H])[C@]1(C)[C@H](O)C[C@@]1([H])C(C)(C)[C@@H](O)CC[C@]21C
InChIInChI=1S/C30H48O4/c1-17-10-13-30(25(33)34)15-14-28(6)19(24(30)18(17)2)8-9-20-27(5)12-11-22(31)26(3,4)21(27)16-23(32)29(20,28)7/h8,17-18,20-24,31-32H,9-16H2,1-7H3,(H,33,34)/t17-,18+,20-,21+,22+,23-,24+,27-,28-,29+,30+/m1/s1
InChIKeyDZLAZTJTKXGAGR-ZULNDKKXSA-N
ChEBI Ontology
Outgoing Relation(s)
Rubitic acid (CHEBI:175731) is a triterpenoid (CHEBI:36615)
IUPAC Name 
(1S,2R,4aS,6aR,6aR,6bR,7R,8aR,10S,12aS,14bS)-7,10-dihydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid
Manual XrefsDatabases
103884406ChemSpider