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CHEBI:230740 - (+)-24-dammarene-3alpha,12beta,20s-triol

Default Structure
ChEBI IDCHEBI:230740
ChEBI Name(+)-24-dammarene-3alpha,12beta,20s-triol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H52O3
Net Charge0
Average Mass460.743
Monoisotopic Mass460.39165
SMILESCC(C)=CCC[C@@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@@H](O)C(C)(C)[C@@H]3CC[C@]12C
InChIInChI=1S/C30H52O3/c1-19(2)10-9-14-30(8,33)20-11-16-29(7)25(20)21(31)18-23-27(5)15-13-24(32)26(3,4)22(27)12-17-28(23,29)6/h10,20-25,31-33H,9,11-18H2,1-8H3/t20-,21+,22-,23+,24+,25-,27-,28+,29+,30+/m0/s1
InChIKeyPYXFVCFISTUSOO-XPHLTCFUSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) feces (BTO:0000440) MetaboLights (MTBLS9087)
ChEBI Ontology
Outgoing Relation(s)
(+)-24-dammarene-3alpha,12beta,20s-triol (CHEBI:230740) is a organic molecular entity (CHEBI:50860)
IUPAC Name 
(3R,5R,8R,9R,10R,12R,13R,14R,17S)-17-[(2R)-2-hydroxy-6-methylhept-5-en-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,12-diol
Manual XrefsDatabases
24846840ChemSpider