Gamma-cyclodextrin sulfate

Structural Information

Molecular Formula

C₄₈H₈₀O₁₁₂S₂₄

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(C(C8OS(=O)(=O)O)OS(=O)(=O)O)OC9C(OC(O2)C(C9OS(=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)COS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O

InChI

InChI=1S/C48H80O112S24/c49-161(50,51)121-1-9-17-25(145-169(73,74)75)33(153-177(97,98)99)41(129-9)138-18-10(2-122-162(52,53)54)131-43(35(155-179(103,104)105)26(18)146-170(76,77)78)140-20-12(4-124-164(58,59)60)133-45(37(157-181(109,110)111)28(20)148-172(82,83)84)142-22-14(6-126-166(64,65)66)135-47(39(159-183(115,116)117)30(22)150-174(88,89)90)144-24-16(8-128-168(70,71)72)136-48(40(160-184(118,119)120)32(24)152-176(94,95)96)143-23-15(7-127-167(67,68)69)134-46(38(158-182(112,113)114)31(23)151-175(91,92)93)141-21-13(5-125-165(61,62)63)132-44(36(156-180(106,107)108)29(21)149-173(85,86)87)139-19-11(3-123-163(55,56)57)130-42(137-17)34(154-178(100,101)102)27(19)147-171(79,80)81/h9-48H,1-8H2,(H,49,50,51)(H,52,53,54)(H,55,56,57)(H,58,59,60)(H,61,62,63)(H,64,65,66)(H,67,68,69)(H,70,71,72)(H,73,74,75)(H,76,77,78)(H,79,80,81)(H,82,83,84)(H,85,86,87)(H,88,89,90)(H,91,92,93)(H,94,95,96)(H,97,98,99)(H,100,101,102)(H,103,104,105)(H,106,107,108)(H,109,110,111)(H,112,113,114)(H,115,116,117)(H,118,119,120)

InChIKey

VHPVZEYUFNJLJZ-UHFFFAOYSA-N

Compound name

[41,42,43,44,45,46,47,48,49,50,51,52,53,54,55,56-hexadecasulfooxy-10,15,20,25,30,35,40-heptakis(sulfooxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34,37,39-hexadecaoxanonacyclo[36.2.2.23,6.28,11.213,16.218,21.223,26.228,31.233,36]hexapentacontan-5-yl]methyl hydrogen sulfate

Related CIDs

• CID 453205