Azt & .beta.-cyclodextrin sulfate

Structural Information

Molecular Formula

C₄₂H₇₀O₉₅S₂₀

SMILES

C(C1C2C(C(C(O1)OC3C(OC(C(C3OS(=O)(=O)O)OS(=O)(=O)O)OC4C(OC(C(C4OS(=O)(=O)O)OS(=O)(=O)O)OC5C(OC(C(C5OS(=O)(=O)O)OS(=O)(=O)O)OC6C(OC(C(C6OS(=O)(=O)O)OS(=O)(=O)O)OC7C(OC(C(C7OS(=O)(=O)O)OS(=O)(=O)O)OC8C(OC(O2)C(C8OS(=O)(=O)O)OS(=O)(=O)O)COS(=O)(=O)O)COS(=O)(=O)O)COS(=O)(=O)O)COS(=O)(=O)O)COS(=O)(=O)O)COS(=O)(=O)O)O)OS(=O)(=O)O)OS(=O)(=O)O

InChI

InChI=1S/C42H70O95S20/c43-15-23(125-145(65,66)67)16-8(1-104-138(44,45)46)111-36(15)118-17-9(2-105-139(47,48)49)112-38(30(132-152(86,87)88)24(17)126-146(68,69)70)120-19-11(4-107-141(53,54)55)114-40(32(134-154(92,93)94)26(19)128-148(74,75)76)122-21-13(6-109-143(59,60)61)116-42(34(136-156(98,99)100)28(21)130-150(80,81)82)124-22-14(7-110-144(62,63)64)117-41(35(137-157(101,102)103)29(22)131-151(83,84)85)123-20-12(5-108-142(56,57)58)115-39(33(135-155(95,96)97)27(20)129-149(77,78)79)121-18-10(3-106-140(50,51)52)113-37(119-16)31(133-153(89,90)91)25(18)127-147(71,72)73/h8-43H,1-7H2,(H,44,45,46)(H,47,48,49)(H,50,51,52)(H,53,54,55)(H,56,57,58)(H,59,60,61)(H,62,63,64)(H,65,66,67)(H,68,69,70)(H,71,72,73)(H,74,75,76)(H,77,78,79)(H,80,81,82)(H,83,84,85)(H,86,87,88)(H,89,90,91)(H,92,93,94)(H,95,96,97)(H,98,99,100)(H,101,102,103)

InChIKey

QOKIYUYJXYFELZ-UHFFFAOYSA-N

Compound name

[37-hydroxy-38,39,40,41,42,43,44,45,46,47,48,49-dodecasulfooxy-5,10,15,20,25,30,35-heptakis(sulfooxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontan-36-yl] hydrogen sulfate

Related CIDs

• CID 452568