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CHEBI:228315 - Ginsenoside-Rk3

Default Structure
ChEBI IDCHEBI:228315
ChEBI NameGinsenoside-Rk3
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC36H60O8
Net Charge0
Average Mass620.868
Monoisotopic Mass620.42882
SMILES[H][C@]12[C@H](O)C[C@@]3([H])[C@@](C)(C[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@]4([H])C(C)(C)[C@@H](O)CC[C@]34C)[C@]1(C)CC[C@@H]2C(=C)CCC=C(C)C
InChIInChI=1S/C36H60O8/c1-19(2)10-9-11-20(3)21-12-15-35(7)27(21)22(38)16-25-34(6)14-13-26(39)33(4,5)31(34)23(17-36(25,35)8)43-32-30(42)29(41)28(40)24(18-37)44-32/h10,21-32,37-42H,3,9,11-18H2,1-2,4-8H3/t21-,22-,23+,24-,25-,26+,27+,28-,29+,30-,31+,32-,34-,35-,36-/m1/s1
InChIKeyAVXFIVJSCUOFNT-QXPABTKOSA-N
ChEBI Ontology
Outgoing Relation(s)
Ginsenoside-Rk3 (CHEBI:228315) is a triterpenoid (CHEBI:36615)
IUPAC Name 
(2R,3R,4S,5S,6R)-2-[[(3S,5R,6S,8R,9R,10R,12R,13R,14R,17S)-3,12-dihydroxy-4,4,8,10,14-pentamethyl-17-(6-methylhepta-1,5-dien-2-yl)-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-6-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
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