Nsc684880

Structural Information

Molecular Formula

C₄₂H₇₀O₉₈S₂₁

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)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O

InChI

InChI=1S/C42H70O98S21/c43-141(44,45)106-1-8-15-22(127-148(64,65)66)29(134-155(85,86)87)36(113-8)121-16-9(2-107-142(46,47)48)115-38(31(136-157(91,92)93)23(16)128-149(67,68)69)123-18-11(4-109-144(52,53)54)117-40(33(138-159(97,98)99)25(18)130-151(73,74)75)125-20-13(6-111-146(58,59)60)119-42(35(140-161(103,104)105)27(20)132-153(79,80)81)126-21-14(7-112-147(61,62)63)118-41(34(139-160(100,101)102)28(21)133-154(82,83)84)124-19-12(5-110-145(55,56)57)116-39(32(137-158(94,95)96)26(19)131-152(76,77)78)122-17-10(3-108-143(49,50)51)114-37(120-15)30(135-156(88,89)90)24(17)129-150(70,71)72/h8-42H,1-7H2,(H,43,44,45)(H,46,47,48)(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)

InChIKey

MLBMCAGVSIMKNT-UHFFFAOYSA-N

Compound name

[36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecasulfooxy-10,15,20,25,30,35-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-5-yl]methyl hydrogen sulfate

Related CIDs

• CID 364214
• CID 457898