(3r)-3-[dihydroxy-tetrakis[(1r)-1-hydroxyethyl]-[(4-hydroxyphenyl)methyl]-(3-hydroxypropyl)-isopropyl-methyl-tridecaoxo-tridecyl-[?]yl]-3-hydroxy-propanamide

Structural Information

Molecular Formula

C₇₁H₁₁₅N₁₃O₂₄

SMILES

CCCCCCCCCCCCC[C@@H]1CC(=O)N[C@@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N2C[C@@H](C[C@H]2C(=O)N[C@@H](C(=O)N[C@H](C(=O)N3CC[C@@H]([C@H]3C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](C(=O)N[C@H](C(=O)O1)CCCO)[C@@H](C)O)[C@@H](CC(=O)N)O)O)[C@@H](C)O)[C@@H](C)O)O)C(C)C)CC4=CC=C(C=C4)O)C)[C@@H](C)O

InChI

InChI=1S/C71H115N13O24/c1-9-10-11-12-13-14-15-16-17-18-19-21-45-32-52(95)77-55(38(5)86)65(101)74-37(4)61(97)76-47(30-42-23-25-43(90)26-24-42)62(98)79-54(36(2)3)69(105)84-35-44(91)31-48(84)63(99)80-57(40(7)88)67(103)81-58(41(8)89)70(106)83-28-27-49(92)60(83)68(104)82-59(50(93)33-51(72)94)64(100)73-34-53(96)78-56(39(6)87)66(102)75-46(22-20-29-85)71(107)108-45/h23-26,36-41,44-50,54-60,85-93H,9-22,27-35H2,1-8H3,(H2,72,94)(H,73,100)(H,74,101)(H,75,102)(H,76,97)(H,77,95)(H,78,96)(H,79,98)(H,80,99)(H,81,103)(H,82,104)/t37-,38-,39-,40-,41-,44-,45-,46+,47+,48+,49+,50-,54+,55-,56-,57-,58+,59+,60+/m1/s1

InChIKey

UGSFHGTXKHQNSR-UNEDFBIISA-N

Compound name

(3R)-3-[(3S,6R,9S,11R,15S,18S,21R,24R,28R,31S,34R,40S,43S,44S)-11,44-dihydroxy-3,6,24,34-tetrakis[(1R)-1-hydroxyethyl]-18-[(4-hydroxyphenyl)methyl]-31-(3-hydroxypropyl)-21-methyl-2,5,8,14,17,20,23,26,30,33,36,39,42-tridecaoxo-15-propan-2-yl-28-tridecyl-29-oxa-1,4,7,13,16,19,22,25,32,35,38,41-dodecazatricyclo[41.3.0.09,13]hexatetracontan-40-yl]-3-hydroxypropanamide

Related CIDs

• CID 485145