Q105186703

group of stereoisomers with the chemical formula C₅₂H₈₄O₂₂

Wikidata entity: Q105186703

C₅₂H₈₄O₂₂ (P274)



Quantities

P2067mass1060.5454243280008

P233 canonical SMILES String O=C(OC1OC(COC2OCC(O)C(O)C2O)C(O)C(O)C1O)C34CCC(C)(C)CC4C5=CCC6C7(C)CCC(OC8OCC(O)C(O)C8OC9OC(CO)C(O)C(O)C9O)C(C)(C)C7CCC6(C)C5(C)CC3O ???
P31 instance of ... Q59199015 (group of stereoisomers) group of stereoisomers
P279 subclass of ... Q108544891 (oleanane triterpenoid) oleanane triterpenoid

External Ids
P231CAS Registry Number160955-43-1
P3117DSSTox substance IDDTXSID001102257
P2057Human Metabolome Database IDHMDB0040616
P234InChIInChI=1S/C52H84O22/c1-47(2)14-15-52(46(66)74-44-40(65)37(62)35(60)27(71-44)21-69-42-38(63)32(57)24(54)19-67-42)23(16-47)22-8-9-29-49(5)12-11-31(48(3,4)28(49)10-13-50(29,6)51(22,7)17-30(52)56)72-45-41(33(58)25(55)20-68-45)73-43-39(64)36(61)34(59)26(18-53)70-43/h8,23-45,53-65H,9-21H2,1-7H3
P235InChIKeyNWNUTSZTAUGIGA-UHFFFAOYSA-N
P662PubChem CID45783092
P11089UniChem compound ID23351902

Why not click here or view trends?

log id: 4942351