6-O-triacetyl(A,B,C)-alpha-cyclodextrin

group of stereoisomers with the chemical formula C₄₂H₆₆O₃₃

Wikidata entity: Q105305277

C₄₂H₆₆O₃₃ (P274)

Quantities

P2067mass1098.348634572

P233 canonical SMILES String O=C(OCC1OC2OC3C(O)C(O)C(OC3CO)OC4C(O)C(O)C(OC4CO)OC5C(O)C(O)C(OC5CO)OC6C(O)C(O)C(OC6COC(=O)C)OC7C(O)C(O)C(OC7COC(=O)C)OC1C(O)C2O)C ???
P703 found in taxon ... Q133353 (Anabaena) Anabaena
P31 instance of ... Q59199015 (group of stereoisomers) group of stereoisomers
P2017 isomeric SMILES String CC(=O)OC[C@H]1OC2O[C@@H]3[C@@H](COC(C)=O)OC(O[C@@H]4[C@@H](COC(C)=O)OC(O[C@@H]5[C@@H](CO)OC(O[C@@H]6[C@@H](CO)OC(O[C@@H]7[C@@H](CO)OC(O[C@H]1[C@H](O)[C@H]2O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O ???
P279 subclass of ... Q11173 (chemical compound) chemical compound
External Ids
P683ChEBI ID213336
P3117DSSTox substance IDDTXSID201186891
P234InChIInChI=1S/C42H66O33/c1-10(46)61-7-16-34-23(53)29(59)41(68-16)75-36-18(9-63-12(3)48)69-42(30(60)24(36)54)74-35-17(8-62-11(2)47)67-40(28(58)22(35)52)72-33-15(6-45)65-38(26(56)20(33)50)70-31-13(4-43)64-37(25(55)19(31)49)71-32-14(5-44)66-39(73-34)27(57)21(32)51/h13-45,49-60H,4-9H2,1-3H3/t13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23-,24-,25-,26-,27-,28-,29-,30-,31-,32-,33-,34-,35-,36-,37?,38?,39?,40?,41?,42?/m1/s1
P235InChIKeyWHFOCKDBMPPPNF-YFUQKLGGSA-N
P7746Natural Product Atlas IDNPA027388
P662PubChem CID146683722
P11089UniChem compound ID178087081

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