名称: Compound 22
IUPAC: [(2R,3R,4S,5R,6S)-5-benzoyloxy-6-[(2R,3R,4S,5R,6R)-5-benzoyloxy-2-(benzoyloxymethyl)-4-[(2S,3S,4R,5R,6S)-6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxy-6-octoxyoxan-3-yl]oxy-3,4-dihydroxyoxan-2-yl]methyl benzoate
SMILES:
CCCCCCCCO[C@@H]1O[C@H](COC(=O)c2ccccc2)[C@@H](O[C@@H]2O[C@H](COC(=O)c3ccccc3)[C@H](O)[C@H](O)[C@H]2OC(=O)c2ccccc2)[C@H](O[C@@H]2O[C@@H](C)[C@@H](OCc3ccccc3)[C@@H](OCc3ccccc3)[C@@H]2OCc2ccccc2)[C@H]1OC(=O)c1ccccc1Canonical SMILES:
CCCCCCCCOC1C(C(C(C(O1)COC(=O)C2=CC=CC=C2)OC3C(C(C(C(O3)COC(=O)C4=CC=CC=C4)O)O)OC(=O)C5=CC=CC=C5)OC6C(C(C(C(O6)C)OCC7=CC=CC=C7)OCC8=CC=CC=C8)OCC9=CC=CC=C9)OC(=O)C1=CC=CC=C1分子式: C75H82O19
分子量: 1287.40
InChIKey: VRFJAOVWVAILHW-GTPDIRQYSA-N
InChI:
PubChem CID: 22868661 →InChI=1S/C75H82O19/c1-3-4-5-6-7-29-44-82-73-68(92-72(81)57-42-27-14-28-43-57)66(94-75-67(85-47-53-34-19-10-20-35-53)65(84-46-52-32-17-9-18-33-52)62(50(2)88-75)83-45-51-30-15-8-16-31-51)63(59(90-73)49-87-70(79)55-38-23-12-24-39-55)93-74-64(91-71(80)56-40-25-13-26-41-56)61(77)60(76)58(89-74)48-86-69(78)54-36-21-11-22-37-54/h8-28,30-43,50,58-68,73-77H,3-7,29,44-49H2,1-2H3/t50-,58+,59+,60-,61-,62+,63+,64+,65+,66-,67-,68+,73+,74-,75-/m0/s1同義語
SCHEMBL8577137VRFJAOVWVAILHW-GTPDIRQYSA-NOctyl 2,6-di-O-benzoyl-3-O-(2,3,4-tri-O-benzyl-alpha-L-fucopyranosyl)-4-O-(2,6-di-O-benzoyl-beta-D-galactopyranosyl)-beta-D-glucopyranosideOctyl 2.6-di-O-benzoyl-3-O-(2,3,4-tri-O-benzyl-alpha-L -fucopyranosyl)-4-O-(2,6-di-O-benzoyl -beta-D-galactopyranosyl)-beta-D-glucopyranoside