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CHEBI:181569 - [(1'R,3'R,4'R,6'R,12'S,13'S,16'R,18'S,21'R)-1,4',6',12',17',17'-hexamethyl-18'-[(3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyspiro[3,6-dioxabicyclo[3.1.0]hexane-4,8'-9-oxahexacyclo[11.9.0.01,21.04,12.05,10.016,21]docosane]-3'-yl] acetate

Default Structure
ChEBI IDCHEBI:181569
ChEBI Name[(1'R,3'R,4'R,6'R,12'S,13'S,16'R,18'S,21'R)-1,4',6',12',17',17'-hexamethyl-18'-[(3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyspiro[3,6-dioxabicyclo[3.1.0]hexane-4,8'-9-oxahexacyclo[11.9.0.01,21.04,12.05,10.016,21]docosane]-3'-yl] acetate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC37H56O10
Net Charge0
Average Mass660.845
Monoisotopic Mass660.38735
SMILES[H][C@@]12CC[C@@]3([H])C(C)(C)[C@@H](OC4OC[C@@H](O)[C@H](O)[C@H]4O)CC[C@@]34C[C@@]14C[C@@H](OC(C)=O)[C@]1(C)C3C(C)CC4(OCC5(C)OC54)OC3C[C@@]21C
InChIInChI=1S/C37H56O10/c1-18-12-37(30-33(6,47-30)17-43-37)46-21-13-32(5)23-9-8-22-31(3,4)24(45-29-28(41)27(40)20(39)15-42-29)10-11-35(22)16-36(23,35)14-25(44-19(2)38)34(32,7)26(18)21/h18,20-30,39-41H,8-17H2,1-7H3/t18?,20-,21?,22+,23+,24+,25-,26?,27+,28-,29?,30?,32+,33?,34-,35-,36+,37?/m1/s1
InChIKeyGCMGJWLOGKSUGX-IFPHGTFESA-N
ChEBI Ontology
Outgoing Relation(s)
[(1'R,3'R,4'R,6'R,12'S,13'S,16'R,18'S,21'R)-1,4',6',12',17',17'-hexamethyl-18'-[(3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyspiro[3,6-dioxabicyclo[3.1.0]hexane-4,8'-9-oxahexacyclo[11.9.0.01,21.04,12.05,10.016,21]docosane]-3'-yl] acetate (CHEBI:181569) is a triterpenoid (CHEBI:36615)
IUPAC Name 
[(1'R,3'R,4'R,6'R,12'S,13'S,16'R,18'S,21'R)-1,4',6',12',17',17'-hexamethyl-18'-[(3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyspiro[3,6-dioxabicyclo[3.1.0]hexane-4,8'-9-oxahexacyclo[11.9.0.01,21.04,12.05,10.016,21]docosane]-3'-yl] acetate
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