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CHEBI:144393 - Sarcoaldesterol A

ChEBI IDCHEBI:144393
ChEBI NameSarcoaldesterol A
Stars
Submittermwilliams
DownloadsMolfile
FormulaC30H52O4
Net Charge0
Average Mass476.742
Monoisotopic Mass476.38656
SMILESCC(C)[C@@H](C)[C@@]1(C)C[C@@H]1[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@@H](O)[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@H]3[C@H](O)C[C@]12C
InChIInChI=1S/C30H52O4/c1-16(2)18(4)27(5)14-23(27)17(3)21-8-9-22-20-12-25(33)30(34)13-19(31)10-11-29(30,7)26(20)24(32)15-28(21,22)6/h16-26,31-34H,8-15H2,1-7H3/t17-,18+,19-,20-,21+,22-,23+,24+,25+,26+,27+,28+,29+,30-/m0/s1
InChIKeyWIHVWOTVUSDCRF-LYBIKMEUSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) liver (BTO:0000759) MetaboLights (MTBLS586) Strain: BALB/c [EFO:0000602]
ChEBI Ontology
Outgoing Relation(s)
Sarcoaldesterol A (CHEBI:144393) has parent hydride gorgostane (CHEBI:24424)
Sarcoaldesterol A (CHEBI:144393) is a steroid (CHEBI:35341)
IUPAC Name 
(3S,5R,6R,8S,9S,10R,11R,13R,14S,17R)-10,13-dimethyl-17-[(1S)-1-[(1R,2R)-2-methyl-2-[(2R)-3-methylbutan-2-yl]cyclopropyl]ethyl]-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,5,6,11-tetrol
Manual XrefsDatabases
C19656KEGG COMPOUND