Q104990173

group of stereoisomers with the chemical formula C₅₂H₈₂O₂₅

Wikidata entity: Q104990173

C₅₂H₈₂O₂₅ (P274)

Quantities

P2067mass1106.514518124

P233 canonical SMILES String O=C1OC(CC(=C1COC2OC(COC3OC(CO)C(O)C(O)C3O)C(O)C(O)C2O)C)C(C)C4CCC5C6CC=C7CC(OC8OC(COC9OC(CO)C(O)C(O)C9O)C(O)C(O)C8O)CC(O)C7(C)C6CCC45C ???
P31 instance of ... Q59199015 (group of stereoisomers) group of stereoisomers
P279 subclass of ... Q907017 (Withanolides) Withanolides
External Ids
P234InChIInChI=1S/C52H82O25/c1-19-11-28(73-46(68)24(19)16-69-47-44(66)40(62)36(58)31(76-47)17-70-48-42(64)38(60)34(56)29(14-53)74-48)20(2)25-7-8-26-23-6-5-21-12-22(13-33(55)52(21,4)27(23)9-10-51(25,26)3)72-50-45(67)41(63)37(59)32(77-50)18-71-49-43(65)39(61)35(57)30(15-54)75-49/h5,20,22-23,25-45,47-50,53-67H,6-18H2,1-4H3
P235InChIKeyDVJQPYOIOUMEJB-UHFFFAOYSA-N
P662PubChem CID162949541

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