EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:182103 - (3R,5R,7R,8R,9S,10S,12S,13R,14S,17R)-17-((2R)-6,7-Dihydroxy-6-methylheptan-2-yl)-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthrene-3,7,12-triol

ChEBI IDCHEBI:182103
ChEBI Name(3R,5R,7R,8R,9S,10S,12S,13R,14S,17R)-17-((2R)-6,7-Dihydroxy-6-methylheptan-2-yl)-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthrene-3,7,12-triol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H48O5
Net Charge0
Average Mass452.676
Monoisotopic Mass452.35017
SMILES[H][C@]12C[C@H](O)CCC1(C)[C@@]1([H])C[C@H](O)C3(C)[C@@H](C(C)CCCC(C)(O)CO)CC[C@@]3([H])[C@]1([H])[C@H](O)C2
InChIInChI=1S/C27H48O5/c1-16(6-5-10-25(2,32)15-28)19-7-8-20-24-21(14-23(31)27(19,20)4)26(3)11-9-18(29)12-17(26)13-22(24)30/h16-24,28-32H,5-15H2,1-4H3/t16?,17-,18-,19-,20+,21+,22-,23+,24+,25?,26?,27?/m1/s1
InChIKeyXZDHXPDYLPEFQI-HANXKNDOSA-N
ChEBI Ontology
Outgoing Relation(s)
(3R,5R,7R,8R,9S,10S,12S,13R,14S,17R)-17-((2R)-6,7-Dihydroxy-6-methylheptan-2-yl)-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthrene-3,7,12-triol (CHEBI:182103) is a steroid (CHEBI:35341)
IUPAC Name 
(3R,5R,7R,8R,9S,12S,14S,17R)-17-(6,7-dihydroxy-6-methylheptan-2-yl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,7,12-triol
Manual XrefsDatabases
LMST04030015LIPID MAPS