131991-59-8

Structural Information

Molecular Formula

C₄₅H₇₈N₂O₃₄

SMILES

C(CN)CNC[C@@H]1[C@@H]2[C@@H]([C@H]([C@H](O1)O[C@@H]3[C@H](O[C@@H]([C@@H]([C@H]3O)O)O[C@@H]4[C@H](O[C@@H]([C@@H]([C@H]4O)O)O[C@@H]5[C@H](O[C@@H]([C@@H]([C@H]5O)O)O[C@@H]6[C@H](O[C@@H]([C@@H]([C@H]6O)O)O[C@@H]7[C@H](O[C@@H]([C@@H]([C@H]7O)O)O[C@@H]8[C@H](O[C@H](O2)[C@@H]([C@H]8O)O)CO)CO)CO)CO)CO)CO)O)O

InChI

InChI=1S/C45H78N2O34/c46-2-1-3-47-4-11-32-18(54)25(61)39(68-11)76-33-12(5-48)70-41(27(63)20(33)56)78-35-14(7-50)72-43(29(65)22(35)58)80-37-16(9-52)74-45(31(67)24(37)60)81-38-17(10-53)73-44(30(66)23(38)59)79-36-15(8-51)71-42(28(64)21(36)57)77-34-13(6-49)69-40(75-32)26(62)19(34)55/h11-45,47-67H,1-10,46H2/t11-,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-,43-,44-,45-/m1/s1

InChIKey

QPAWWGUMFGCBGN-HCHLQLBUSA-N

Compound name

(1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23R,25R,26S,28R,30R,31S,33R,35R,36R,37R,38R,39R,40R,41R,42R,43R,44R,45R,46R,47R,48R,49R)-5-[(3-aminopropylamino)methyl]-10,15,20,25,30,35-hexakis(hydroxymethyl)-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]nonatetracontane-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecol

Related CIDs

• CID 11722242