2-(1-adamantyl)-N-[(E)-1-[(2R,3R,4R,5S,6R)-6-(hydroxymethyl)-5-[(2S,3R,4R,5R,6R)-6-(hydroxymethyl)-5-[(2R,3R,4S,5R,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3,4-bis(oxidanyl)oxan-2-yl]oxy-3,4-bis(oxidanyl)oxan-2-yl]oxy-3-oxidanyl-hexadec-4-en-2-yl]ethanamide

Systemtic Name: 2-(1-adamantyl)-N-[(E)-1-[(2R,3R,4R,5S,6R)-6-(hydroxymethyl)-5-[(2S,3R,4R,5R,6R)-6-(hydroxymethyl)-5-[(2R,3R,4S,5R,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3,4-bis(oxidanyl)oxan-2-yl]oxy-3,4-bis(oxidanyl)oxan-2-yl]oxy-3-oxidanyl-hexadec-4-en-2-yl]ethanamide Openeye Name: 2-(1-adamantyl)-N-[(E)-1-[[(2R,3R,4R,5S,6R)-5-[(2S,3R,4R,5R,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxymethyl]-2-hydroxy-pentadec-3-enyl]acetamide CAS Name: 2-(1-adamantyl)-N-[(E)-1-[[(2R,3R,4R,5S,6R)-5-[[(2S,3R,4R,5R,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-2-oxanyl]oxy]-3,4-dihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-3-hydroxyhexadec-4-en-2-yl]acetamide IUPAC Name: 2-(1-adamantyl)-N-[(E)-1-[(2R,3R,4R,5S,6R)-5-[(2S,3R,4R,5R,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxyhexadec-4-en-2-yl]acetamide Traditional Name: 2-(1-adamantyl)-N-[(E)-1-[[(2R,3R,4R,5S,6R)-5-[(2S,3R,4R,5R,6R)-3,4-dihydroxy-6-methylol-5-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-3,4-dihydroxy-6-methylol-tetrahydropyran-2-yl]oxymethyl]-2-hydroxy-pentadec-3-enyl]acetamide Formula: C46H79NO18 MolecularWeight: 934.11536

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC=CC(C(COC1C(C(C(C(O1)CO)OC2C(C(C(C(O2)CO)OC3C(C(C(C(O3)CO)O)O)O)O)O)O)O)NC(=O)CC45CC6CC(C4)CC(C6)C5)O

Isomeric SMILES

CCCCCCCCCCC/C=C/C(C(CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O[C@@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)O)O)O)O)NC(=O)CC45CC6CC(C4)CC(C6)C5)O

InChI

InChI=1S/C46H79NO18/c1-2-3-4-5-6-7-8-9-10-11-12-13-29(51)28(47-33(52)20-46-17-25-14-26(18-46)16-27(15-25)19-46)24-60-43-39(58)36(55)41(31(22-49)62-43)65-45-40(59)37(56)42(32(23-50)63-45)64-44-38(57)35(54)34(53)30(21-48)61-44/h12-13,25-32,34-45,48-51,53-59H,2-11,14-24H2,1H3,(H,47,52)/b13-12+/t25?,26?,27?,28?,29?,30-,31-,32-,34+,35+,36-,37-,38-,39-,40-,41-,42+,43-,44-,45+,46?/m1/s1