[(2R,3R,4S,5S,6S)-4-[(2R,3S,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-6-[(2R)-3-(16-methylheptadecanoyloxy)-2-oxidanyl-propoxy]-3,5-bis(oxidanyl)oxan-2-yl]methyl 16-methylheptadecanoate

Systemtic Name: [(2R,3R,4S,5S,6S)-4-[(2R,3S,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-6-[(2R)-3-(16-methylheptadecanoyloxy)-2-oxidanyl-propoxy]-3,5-bis(oxidanyl)oxan-2-yl]methyl 16-methylheptadecanoate Openeye Name: [(2R,3R,4S,5S,6S)-3,5-dihydroxy-6-[(2R)-2-hydroxy-3-(16-methylheptadecanoyloxy)propoxy]-4-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]methyl 16-methylheptadecanoate CAS Name: 16-methylheptadecanoic acid [(2R,3R,4S,5S,6S)-3,5-dihydroxy-6-[(2R)-2-hydroxy-3-(16-methyl-1-oxoheptadecoxy)propoxy]-4-[[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-2-oxanyl]methyl ester IUPAC Name: [(2R,3R,4S,5S,6S)-3,5-dihydroxy-6-[(2R)-2-hydroxy-3-(16-methylheptadecanoyloxy)propoxy]-4-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl 16-methylheptadecanoate Traditional Name: 16-methylheptadecanoic acid [(2R,3R,4S,5S,6S)-3,5-dihydroxy-6-[(2R)-2-hydroxy-3-(16-methylheptadecanoyloxy)propoxy]-4-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]methyl ester Formula: C51H96O15 MolecularWeight: 949.29894

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCCCCCCCCCCCC(=O)OCC1C(C(C(C(O1)OCC(COC(=O)CCCCCCCCCCCCCCC(C)C)O)O)OC2C(C(C(C(O2)CO)O)O)O)O

Isomeric SMILES

CC(C)CCCCCCCCCCCCCCC(=O)OC[C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)OC[C@H](COC(=O)CCCCCCCCCCCCCCC(C)C)O)O)O[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O

InChI

InChI=1S/C51H96O15/c1-37(2)29-25-21-17-13-9-5-7-11-15-19-23-27-31-42(54)61-34-39(53)35-63-50-48(60)49(66-51-47(59)46(58)44(56)40(33-52)64-51)45(57)41(65-50)36-62-43(55)32-28-24-20-16-12-8-6-10-14-18-22-26-30-38(3)4/h37-41,44-53,56-60H,5-36H2,1-4H3/t39-,40+,41+,44+,45+,46-,47-,48-,49-,50-,51+/m0/s1