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CHEBI:182581 - (3R,5R,7R,8R,9S,10S,12S,13R,14S,17R)-17-((2R,5S)-5,7-Dihydroxy-6-methylheptan-2-yl)-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthrene-3,7,12-triol

ChEBI IDCHEBI:182581
ChEBI Name(3R,5R,7R,8R,9S,10S,12S,13R,14S,17R)-17-((2R,5S)-5,7-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@@]12[C@H](O)CC3C[C@H](O)CCC3(C)[C@@]1([H])C[C@H](O)C1(C)[C@@H](C(C)CC[C@H](O)C(C)CO)CC[C@]12[H]
InChIInChI=1S/C27H48O5/c1-15(5-8-22(30)16(2)14-28)19-6-7-20-25-21(13-24(32)27(19,20)4)26(3)10-9-18(29)11-17(26)12-23(25)31/h15-25,28-32H,5-14H2,1-4H3/t15?,16?,17?,18-,19-,20+,21+,22+,23-,24+,25+,26?,27?/m1/s1
InChIKeyCPKBPCHJXMSTOE-VUUOTSKNSA-N
ChEBI Ontology
Outgoing Relation(s)
(3R,5R,7R,8R,9S,10S,12S,13R,14S,17R)-17-((2R,5S)-5,7-Dihydroxy-6-methylheptan-2-yl)-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthrene-3,7,12-triol (CHEBI:182581) is a steroid (CHEBI:35341)
IUPAC Name 
(3R,7R,8R,9S,12S,14S,17R)-17-[(5S)-5,7-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