6-O-diacetyl(A,B)-alpha-cyclodextrin

group of stereoisomers with the chemical formula C₄₀H₆₄O₃₂

Wikidata entity: Q105288263

C₄₀H₆₄O₃₂ (P274)

Quantities

P2067mass1056.338069888

P233 canonical SMILES String O=C(OCC1OC2OC3C(O)C(O)C(OC3COC(=O)C)OC4C(O)C(O)C(OC4CO)OC5C(O)C(O)C(OC5CO)OC6C(O)C(O)C(OC6CO)OC7C(O)C(O)C(OC7CO)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](CO)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 ID213325
P3117DSSTox substance IDDTXSID201047677
P234InChIInChI=1S/C40H64O32/c1-9(45)59-7-15-33-22(52)28(58)40(66-15)72-34-16(8-60-10(2)46)65-39(27(57)21(34)51)70-32-14(6-44)63-37(25(55)19(32)49)68-30-12(4-42)61-35(23(53)17(30)47)67-29-11(3-41)62-36(24(54)18(29)48)69-31-13(5-43)64-38(71-33)26(56)20(31)50/h11-44,47-58H,3-8H2,1-2H3/t11-,12-,13-,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?/m1/s1
P235InChIKeyVLCCEAXCRNFUDB-YNDJXNPESA-N
P7746Natural Product Atlas IDNPA027386
P662PubChem CID146683720
P11089UniChem compound ID178087079

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