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Substance Name: NSC 684880
RN: 60120-39-0
InChIKey: YVHUUWWOTZQREM-ZQOBQRRWSA-N

Molecular Weight

  • 1233.06
 
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Names and Synonyms

  • NSC 684880

Registry Numbers

CAS Registry Number

  • 60120-39-0

System Generated Number

  • 0060120390

Structure Descriptors

InChI

1S/C42H70O35.H2O4S/c43-1-8-29-15(50)22(57)36(64-8)72-30-9(2-44)66-38(24(59)17(30)52)74-32-11(4-46)68-40(26(61)19(32)54)76-34-13(6-48)70-42(28(63)21(34)56)77-35-14(7-49)69-41(27(62)20(35)55)75-33-12(5-47)67-39(25(60)18(33)53)73-31-10(3-45)65-37(71-29)23(58)16(31)51;1-5(2,3)4/h8-63H,1-7H2;(H2,1,2,3,4)/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

YVHUUWWOTZQREM-ZQOBQRRWSA-N

Smiles

O1[C@@H]2O[C@H]3[C@H](O)[C@@H](O)[C@@H](O[C@H]4[C@H](O)[C@@H](O)[C@H](O[C@@H]4CO)O[C@@H]4[C@@H](CO)O[C@@H]([C@@H](O)[C@H]4O)O[C@@H]4[C@H](O[C@H](O[C@H]5[C@H](O)[C@H]([C@@H](O[C@H]6[C@H](O)[C@@H](O)[C@H](O[C@@H]6CO)O[C@H]([C@H]1CO)[C@@H](O)[C@H]2O)O[C@@H]5CO)O)[C@@H](O)[C@H]4O)CO)O[C@@H]3CO.S(=O)(=O)(O)O