SAD-E_001241

Molecular Formula: C₄₈H₅₂N₂O₁₃

InChI: InChI=1/C48H52N2O13/c1-50(36(44(56)49-23-24-51)26-31-12-5-2-6-13-31)45(57)33-27-37(43-38(28-33)62-48(63-43,34-15-7-3-8-16-34)35-17-9-4-10-18-35)60-46(58)32-21-19-30(20-22-32)14-11-25-59-47-42(55)41(54)40(53)39(29-52)61-47/h2-22,28,36-43,47,51-55H,23-27,29H2,1H3,(H,49,56)/t36-,37-,38-,39-,40+,41+,42-,43+,47+/m1/s1/f/h49H

InChIKey: InChIKey=DDHUIWLSKBQLJN-QUXGOAFSDM
SMILES: CN(C(CC1=CC=CC=C1)C(=O)NCCO)C(=O)C2=CC3C(C(C2)OC(=O)C4=CC=C(C=C4)C=CCOC5C(C(C(C(O5)CO)O)O)O)OC(O3)(C6=CC=CC=C6)C7=CC=CC=C7

Names:
    SAD-E_001241
    [(3aR,4R,7aR)-6-[[(1R)-1-(2-hydroxyethylcarbamoyl)-2-phenyl-ethyl]-methyl-carbamoyl]-2,2-diphenyl-3a,4,5,7a-tetrahydrobenzo[1,3]dioxol-4-yl] 4-[3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyprop-1-enyl]benzoate

Registries:
    PubChem CID 6715245
    PubChem ID 11469509