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CHEBI:181969 - [(1S,2R,7S,10R,16R,17R,18R,20S)-7-[(2S,3R,4S,5S)-3-[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-5-hydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-16-hydroxy-2,6,6,10,16-pentamethyl-18-[(2R)-3-methylbut-3-en-2-yl]-19,21-dioxahexacyclo[18.2.1.01,14.02,11.05,10.015,20]tricosan-17-yl] acetate

Default Structure
ChEBI IDCHEBI:181969
ChEBI Name[(1S,2R,7S,10R,16R,17R,18R,20S)-7-[(2S,3R,4S,5S)-3-[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-5-hydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-16-hydroxy-2,6,6,10,16-pentamethyl-18-[(2R)-3-methylbut-3-en-2-yl]-19,21-dioxahexacyclo[18.2.1.01,14.02,11.05,10.015,20]tricosan-17-yl] acetate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC49H78O19
Net Charge0
Average Mass971.144
Monoisotopic Mass970.51373
SMILES[H][C@]1([C@H](C)C(=C)C)O[C@]23C[C@]4(CO2)C(CCC2[C@@]5(C)CC[C@H](O[C@@H]6OC[C@H](O)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@H]6O[C@@H]6O[C@@H](CO)[C@H](O)[C@H]6O)C(C)(C)C5CC[C@]24C)C3C(C)(O)[C@@H]1OC(C)=O
InChIInChI=1S/C49H78O19/c1-21(2)22(3)36-40(62-23(4)52)47(9,59)39-24-10-11-29-45(7)14-13-30(44(5,6)28(45)12-15-46(29,8)48(24)19-49(39,68-36)61-20-48)65-43-38(67-41-34(57)32(55)27(17-51)64-41)37(25(53)18-60-43)66-42-35(58)33(56)31(54)26(16-50)63-42/h22,24-43,50-51,53-59H,1,10-20H2,2-9H3/t22-,24?,25+,26-,27+,28?,29?,30+,31-,32+,33+,34-,35-,36-,37+,38-,39?,40-,41+,42+,43+,45+,46-,47?,48+,49+/m1/s1
InChIKeyZAWVKTOAAOBPLL-ZNCFAQLLSA-N
ChEBI Ontology
Outgoing Relation(s)
[(1S,2R,7S,10R,16R,17R,18R,20S)-7-[(2S,3R,4S,5S)-3-[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-5-hydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-16-hydroxy-2,6,6,10,16-pentamethyl-18-[(2R)-3-methylbut-3-en-2-yl]-19,21-dioxahexacyclo[18.2.1.01,14.02,11.05,10.015,20]tricosan-17-yl] acetate (CHEBI:181969) is a triterpenoid (CHEBI:36615)
IUPAC Name 
[(1S,2R,7S,10R,16R,17R,18R,20S)-7-[(2S,3R,4S,5S)-3-[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-5-hydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-16-hydroxy-2,6,6,10,16-pentamethyl-18-[(2R)-3-methylbut-3-en-2-yl]-19,21-dioxahexacyclo[18.2.1.01,14.02,11.05,10.015,20]tricosan-17-yl] acetate