.beta.-cyclodextrin heptamer (so3k)14

Structural Information

Molecular Formula

C₄₂H₇₀O₇₇S₁₄

SMILES

C([C@@H]1[C@@H]2[C@@H]([C@H]([C@H](O1)OC3[C@H](OC([C@@H]([C@H]3OS(=O)(=O)O)O)OC4[C@H](OC([C@@H]([C@H]4OS(=O)(=O)O)O)OC5[C@H](OC([C@@H]([C@H]5OS(=O)(=O)O)O)OC6[C@H](OC([C@@H]([C@H]6OS(=O)(=O)O)O)OC7[C@H](OC([C@@H]([C@H]7OS(=O)(=O)O)O)OC8[C@H](O[C@H](O2)[C@@H]([C@H]8OS(=O)(=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/C42H70O77S14/c43-15-29(113-127(71,72)73)22-8(1-92-120(50,51)52)99-36(15)107-23-9(2-93-121(53,54)55)101-38(17(45)31(23)115-129(77,78)79)109-25-11(4-95-123(59,60)61)103-40(19(47)33(25)117-131(83,84)85)111-27-13(6-97-125(65,66)67)105-42(21(49)35(27)119-133(89,90)91)112-28-14(7-98-126(68,69)70)104-41(20(48)34(28)118-132(86,87)88)110-26-12(5-96-124(62,63)64)102-39(18(46)32(26)116-130(80,81)82)108-24-10(3-94-122(56,57)58)100-37(106-22)16(44)30(24)114-128(74,75)76/h8-49H,1-7H2,(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)/t8-,9-,10-,11-,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?,41?,42?/m1/s1

InChIKey

MHVFCILSXAGBOS-JBXSFWBVSA-N

Compound name

[(5R,8R,10R,11R,13R,15R,20R,25R,30R,35R,36R,37R,38R,39R,40R,41R,42R,43R,44R,45R,46R,47R,48R,49R)-37,39,41,43,45,47,49-heptahydroxy-36,38,40,42,44,46,48-heptasulfooxy-5,10,15,25,30,35-hexakis(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-20-yl]methyl hydrogen sulfate

Related CIDs

• CID 480001