[6-[6-[2-[12-(2-octadecylcyclopropyl)-1-oxidanyl-dodecyl]hexacosanoyloxymethyl]-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3,4,5-tris(oxidanyl)oxan-2-yl]methyl 2-[10-(2-octadecylcyclopropyl)decyl]-3-oxidanyl-octacosanoate

Systemtic Name: [6-[6-[2-[12-(2-octadecylcyclopropyl)-1-oxidanyl-dodecyl]hexacosanoyloxymethyl]-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3,4,5-tris(oxidanyl)oxan-2-yl]methyl 2-[10-(2-octadecylcyclopropyl)decyl]-3-oxidanyl-octacosanoate Openeye Name: [3,4,5-trihydroxy-6-[3,4,5-trihydroxy-6-[2-[1-hydroxy-12-(2-octadecylcyclopropyl)dodecyl]hexacosanoyloxymethyl]tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]methyl 3-hydroxy-2-[10-(2-octadecylcyclopropyl)decyl]octacosanoate CAS Name: 3-hydroxy-2-[10-(2-octadecylcyclopropyl)decyl]octacosanoic acid [3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-[[2-[1-hydroxy-12-(2-octadecylcyclopropyl)dodecyl]-1-oxohexacosoxy]methyl]-2-oxanyl]oxy]-2-oxanyl]methyl ester IUPAC Name: [3,4,5-trihydroxy-6-[3,4,5-trihydroxy-6-[2-[1-hydroxy-12-(2-octadecylcyclopropyl)dodecyl]hexacosanoyloxymethyl]oxan-2-yl]oxyoxan-2-yl]methyl 3-hydroxy-2-[10-(2-octadecylcyclopropyl)decyl]octacosanoate Traditional Name: 3-hydroxy-2-[10-(2-stearylcyclopropyl)decyl]montanic acid [3,4,5-trihydroxy-6-[3,4,5-trihydroxy-6-[2-[1-hydroxy-12-(2-stearylcyclopropyl)dodecyl]hexacosanoyloxymethyl]tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]methyl ester Formula: C130H250O15 MolecularWeight: 2053.367

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCCCCCC(C(CCCCCCCCCCC1CC1CCCCCCCCCCCCCCCCCC)C(=O)OCC2C(C(C(C(O2)OC3C(C(C(C(O3)COC(=O)C(CCCCCCCCCCCCCCCCCCCCCCCC)C(CCCCCCCCCCCC4CC4CCCCCCCCCCCCCCCCCC)O)O)O)O)O)O)O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCCCCCC(C(CCCCCCCCCCC1CC1CCCCCCCCCCCCCCCCCC)C(=O)OCC2C(C(C(C(O2)OC3C(C(C(C(O3)COC(=O)C(CCCCCCCCCCCCCCCCCCCCCCCC)C(CCCCCCCCCCCC4CC4CCCCCCCCCCCCCCCCCC)O)O)O)O)O)O)O)O

InChI

InChI=1S/C130H250O15/c1-5-9-13-17-21-25-29-33-37-41-43-45-47-49-51-53-57-61-65-71-81-89-97-105-117(131)116(104-96-88-80-74-73-78-86-94-102-114-108-112(114)100-92-84-76-68-63-59-55-40-36-32-28-24-20-16-12-8-4)128(140)142-110-120-122(134)124(136)126(138)130(144-120)145-129-125(137)123(135)121(133)119(143-129)109-141-127(139)115(103-95-87-79-70-64-60-56-52-50-48-46-44-42-38-34-30-26-22-18-14-10-6-2)118(132)106-98-90-82-72-66-69-77-85-93-101-113-107-111(113)99-91-83-75-67-62-58-54-39-35-31-27-23-19-15-11-7-3/h1