octadecyl (2S,3S,4S,5R,6R)-6-[(2R,3R,4S,5S,6S)-2-[[(3S,4aR,6aR,6bS,8aS,11S,12aR,14aR,14bS)-4,4,6a,6b,8a,11,14b-heptamethyl-11-octadecoxycarbonyl-14-oxidanylidene-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl]oxy]-6-octadecoxycarbonyl-4,5-bis(oxidanyl)oxan-3-yl]oxy-3,4,5-tris(oxidanyl)oxane-2-carboxylate

Systemtic Name: octadecyl (2S,3S,4S,5R,6R)-6-[(2R,3R,4S,5S,6S)-2-[[(3S,4aR,6aR,6bS,8aS,11S,12aR,14aR,14bS)-4,4,6a,6b,8a,11,14b-heptamethyl-11-octadecoxycarbonyl-14-oxidanylidene-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl]oxy]-6-octadecoxycarbonyl-4,5-bis(oxidanyl)oxan-3-yl]oxy-3,4,5-tris(oxidanyl)oxane-2-carboxylate Openeye Name: octadecyl (2S,3S,4S,5R,6R)-6-[(2R,3R,4S,5S,6S)-2-[[(3S,4aR,6aR,6bS,8aS,11S,12aR,14aR,14bS)-4,4,6a,6b,8a,11,14b-heptamethyl-11-octadecoxycarbonyl-14-oxo-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl]oxy]-4,5-dihydroxy-6-octadecoxycarbonyl-tetrahydropyran-3-yl]oxy-3,4,5-trihydroxy-tetrahydropyran-2-carboxylate CAS Name: (2S,3S,4S,5R,6R)-6-[[(2R,3R,4S,5S,6S)-2-[[(3S,4aR,6aR,6bS,8aS,11S,12aR,14aR,14bS)-4,4,6a,6b,8a,11,14b-heptamethyl-11-[octadecoxy(oxo)methyl]-14-oxo-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl]oxy]-4,5-dihydroxy-6-[octadecoxy(oxo)methyl]-3-oxanyl]oxy]-3,4,5-trihydroxy-2-oxanecarboxylic acid octadecyl ester IUPAC Name: octadecyl (2S,3S,4S,5R,6R)-6-[(2R,3R,4S,5S,6S)-2-[[(3S,4aR,6aR,6bS,8aS,11S,12aR,14aR,14bS)-4,4,6a,6b,8a,11,14b-heptamethyl-11-octadecoxycarbonyl-14-oxo-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl]oxy]-4,5-dihydroxy-6-octadecoxycarbonyloxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylate Traditional Name: (2S,3S,4S,5R,6R)-6-[(2R,3R,4S,5S,6S)-2-[[(3S,4aR,6aR,6bS,8aS,11S,12aR,14aR,14bS)-14-keto-4,4,6a,6b,8a,11,14b-heptamethyl-11-stearyloxycarbonyl-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl]oxy]-4,5-dihydroxy-6-stearyloxycarbonyl-tetrahydropyran-3-yl]oxy-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid stearyl ester Formula: C96H170O16 MolecularWeight: 1580.3674

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC(=O)C1C(C(C(C(O1)OC2C(C(C(OC2OC3CCC4(C(C3(C)C)CCC5(C4C(=O)C=C6C5(CCC7(C6CC(CC7)(C)C(=O)OCCCCCCCCCCCCCCCCCC)C)C)C)C)C(=O)OCCCCCCCCCCCCCCCCCC)O)O)O)O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC(=O)[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2O[C@H]3CC[C@]4([C@H](C3(C)C)CC[C@@]5([C@@H]4C(=O)C=C6[C@]5(CC[C@@]7([C@H]6C[C@@](CC7)(C)C(=O)OCCCCCCCCCCCCCCCCCC)C)C)C)C)C(=O)OCCCCCCCCCCCCCCCCCC)O)O)O)O)O

InChI

InChI=1S/C96H170O16/c1-11-14-17-20-23-26-29-32-35-38-41-44-47-50-53-56-67-106-86(103)82-78(99)77(98)81(102)88(110-82)112-84-80(101)79(100)83(87(104)107-68-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-2)111-89(84)109-76-60-61-94(8)75(91(76,4)5)59-62-96(10)85(94)74(97)70-72-73-71-93(7,64-63-92(73,6)65-66-95(72,96)9)90(105)108-69-58-55-52-49-46-43-40-37-34-31-28-25-22-19-16-13-3/h70,73,75-85,88-89,98-102H,11-69,71H2,1-10H3/t73-,75-,76-,77-,78-,79-,80-,81+,82-,83-,84+,85+,88-,89+,92+,93-,94-,95+,96+/m0/s1