14,39-dioxabicyclo[33.3.1]nonatriaconta-19,21,23,25,27,29,31-heptaene-36-carboxamide, 33-[(3-amino-3,6-dideoxy-b-d-mannopyranosyl)oxy]-1,3,5,8,9,11,17,37-octahydroxy-n-(2-methoxyethyl)-15,16,18-trimethyl-13-oxo-, (1r,3s,5s,8s,9s,11r,15s,16s,17r,18s,33r,35s,36r,37s)-

Structural Information

Molecular Formula

C₇₈H₁₃₆N₂O₃₁

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](CC[C@@H]([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)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOC)O[C@H]3[C@H]([C@H]([C@@H]([C@H](O3)C)O)N)O

InChI

InChI=1S/C78H136N2O31/c1-58-18-16-14-12-10-8-6-7-9-11-13-15-17-19-65(110-77-75(90)72(79)74(89)61(4)109-77)55-69-71(68(86)57-78(92,111-69)56-64(83)52-62(81)20-21-66(84)67(85)53-63(82)54-70(87)108-60(3)59(2)73(58)88)76(91)80-22-23-94-26-27-96-30-31-98-34-35-100-38-39-102-42-43-104-46-47-106-50-51-107-49-48-105-45-44-103-41-40-101-37-36-99-33-32-97-29-28-95-25-24-93-5/h6-19,58-69,71-75,77,81-86,88-90,92H,20-57,79H2,1-5H3,(H,80,91)/b7-6+,10-8+,11-9+,14-12+,15-13+,18-16+,19-17+/t58-,59+,60-,61+,62-,63+,64-,65-,66-,67-,68-,69-,71+,72-,73+,74+,75-,77-,78+/m0/s1

InChIKey

QZOWVLZYJMLQCG-UKIHPLSQSA-N

Compound name

(1R,3S,5S,8S,9S,11R,15S,16S,17R,18S,19E,21E,23E,25E,27E,29E,31E,33R,35S,36R,37S)-33-[(2R,3S,4S,5S,6R)-4-amino-3,5-dihydroxy-6-methyloxan-2-yl]oxy-1,3,5,8,9,11,17,37-octahydroxy-N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-15,16,18-trimethyl-13-oxo-14,39-dioxabicyclo[33.3.1]nonatriaconta-19,21,23,25,27,29,31-heptaene-36-carboxamide

Related CIDs

• CID 6476001