1314876-23-7

Structural Information

Molecular Formula

C₅₅H₈₇NO₂₂

SMILES

C[C@H]1/C=C/C=C/C=C/C=C/C=C/C=C/C=C/[C@@H](C[C@H]2[C@@H]([C@H](C[C@](O2)(C[C@H](C[C@H]([C@@H](CC[C@H](C[C@H](CC(=O)O[C@H]([C@@H]([C@@H]1O)C)C)O)O)O)O)O)O)O)C(=O)OC)O[C@H]3[C@H]([C@H]([C@@H]([C@H](O3)C)O)N(C)C[C@@]4([C@H]([C@@H]([C@@H](CO4)O)O)O)O)O

InChI

InChI=1S/C55H87NO22/c1-31-19-17-15-13-11-9-7-8-10-12-14-16-18-20-38(77-53-50(68)46(48(66)34(4)76-53)56(5)30-55(72)51(69)49(67)42(63)29-74-55)26-43-45(52(70)73-6)41(62)28-54(71,78-43)27-37(59)24-40(61)39(60)22-21-35(57)23-36(58)25-44(64)75-33(3)32(2)47(31)65/h7-20,31-43,45-51,53,57-63,65-69,71-72H,21-30H2,1-6H3/b8-7+,11-9+,12-10+,15-13+,16-14+,19-17+,20-18+/t31-,32-,33-,34+,35+,36+,37-,38-,39+,40+,41-,42+,43-,45+,46-,47+,48+,49+,50-,51-,53-,54+,55+/m0/s1

InChIKey

YTNDZPWJWHXCJL-DMJFHGPESA-N

Compound name

methyl (1R,3S,5R,6R,9R,11R,15S,16R,17R,18S,19E,21E,23E,25E,27E,29E,31E,33R,35S,36R,37S)-33-[(2R,3S,4S,5S,6R)-3,5-dihydroxy-6-methyl-4-[methyl-[[(2R,3S,4R,5R)-2,3,4,5-tetrahydroxyoxan-2-yl]methyl]amino]oxan-2-yl]oxy-1,3,5,6,9,11,17,37-octahydroxy-15,16,18-trimethyl-13-oxo-14,39-dioxabicyclo[33.3.1]nonatriaconta-19,21,23,25,27,29,31-heptaene-36-carboxylate

Related CIDs

• CID 9833382