alpha,alpha'-Trehalose 6,6'-bismycolate
Molecular Formula:
C76H142O15
InChI: InChI=1/C76H142O15/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-63(77)61(55-51-47-43-39-35-31-27-23-19-15-11-7-3)73(85)87-59-65-67(79)69(81)71(83)75(89-65)91-76-72(84)70(82)68(80)66(90-76)60-88-74(86)62(56-52-48-44-40-36-32-28-24-20-16-12-8-4)64(78)58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h25-26,29-30,61-72,75-84H,5-24,27-28,31-60H2,1-4H3/b29-25+,30-26+/t61u,62u,63?,64?,65-,66+,67-,68+,69+,70-,71-,72+,75-,76+
InChIKey: InChIKey=VTTNQXWXPJHFRB-CORHRETDBH
SMILES: CCCCCCCCCCCCCCC(C(CCCCCCCC=CCCCCCC)O)C(=O)OCC1C(C(C(C(O1)OC2C(C(C(C(O2)COC(=O)C(CCCCCCCCCCCCCC)C(CCCCCCCC=CCCCCCC)O)O)O)O)O)O)O
Names:
alpha,alpha'-Trehalose 6,6'-bismycolate
C04465
[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[(2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-[[(E)-3-hydroxy-2-tetradecyl-octadec-11-enoyl]oxymethyl]oxan-2-yl]oxy-oxan-2-yl]methyl (E)-3-hydroxy-2-tetradecyl-octadec-11-enoate
Registries:
PubChem CID 11953836
PubChem ID 7088
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