alpha,alpha'-Trehalose 6-mycolate

Molecular Formula: C₄₄H₈₂O₁₃

InChI: InChI=1/C44H82O13/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-33(46)32(28-26-24-22-20-18-16-14-12-10-8-6-4-2)42(53)54-31-35-37(48)39(50)41(52)44(56-35)57-43-40(51)38(49)36(47)34(30-45)55-43/h13,15,32-41,43-52H,3-12,14,16-31H2,1-2H3/b15-13+/t32u,33?,34-,35+,36-,37+,38+,39-,40-,41+,43-,44+/m0/s1

InChIKey: InChIKey=DIYJLQPZULMTGY-AAOAWPOFBB
SMILES: CCCCCCCCCCCCCCC(C(CCCCCCCC=CCCCCCC)O)C(=O)OCC1C(C(C(C(O1)OC2C(C(C(C(O2)CO)O)O)O)O)O)O

Names:
    alpha,alpha'-Trehalose 6-mycolate
    C04218
    [(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[(2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-oxan-2-yl]methyl (E)-3-hydroxy-2-tetradecyl-octadec-11-enoate

Registries:
    PubChem CID 5280660
    PubChem ID 6891