(12E,16E,28E)-31-[6-[6-[4,5-bis(oxidanyl)-6-[(3E,9E,11E)-1,2,8,13-tetrakis(oxidanyl)heptadeca-3,9,11,16-tetraenyl]oxan-2-yl]-4-methylidene-1,5,6-tris(oxidanyl)hexyl]-3,4-bis(oxidanyl)oxan-2-yl]-21,28-dimethyl-hentriaconta-12,16,28-triene-1,2,6,10,14,19,20,22,23,25,30,31-dodecol

Systemtic Name: (12E,16E,28E)-31-[6-[6-[4,5-bis(oxidanyl)-6-[(3E,9E,11E)-1,2,8,13-tetrakis(oxidanyl)heptadeca-3,9,11,16-tetraenyl]oxan-2-yl]-4-methylidene-1,5,6-tris(oxidanyl)hexyl]-3,4-bis(oxidanyl)oxan-2-yl]-21,28-dimethyl-hentriaconta-12,16,28-triene-1,2,6,10,14,19,20,22,23,25,30,31-dodecol Openeye Name: (12E,16E,28E)-31-[6-[6-[4,5-dihydroxy-6-[(3E,9E,11E)-1,2,8,13-tetrahydroxyheptadeca-3,9,11,16-tetraenyl]tetrahydropyran-2-yl]-1,5,6-trihydroxy-4-methylene-hexyl]-3,4-dihydroxy-tetrahydropyran-2-yl]-21,28-dimethyl-hentriaconta-12,16,28-triene-1,2,6,10,14,19,20,22,23,25,30,31-dodecol CAS Name: (12E,16E,28E)-31-[6-[6-[4,5-dihydroxy-6-[(3E,9E,11E)-1,2,8,13-tetrahydroxyheptadeca-3,9,11,16-tetraenyl]-2-oxanyl]-1,5,6-trihydroxy-4-methylenehexyl]-3,4-dihydroxy-2-oxanyl]-21,28-dimethylhentriaconta-12,16,28-triene-1,2,6,10,14,19,20,22,23,25,30,31-dodecol IUPAC Name: (12E,16E,28E)-31-[6-[6-[4,5-dihydroxy-6-[(3E,9E,11E)-1,2,8,13-tetrahydroxyheptadeca-3,9,11,16-tetraenyl]oxan-2-yl]-1,5,6-trihydroxy-4-methylidenehexyl]-3,4-dihydroxyoxan-2-yl]-21,28-dimethylhentriaconta-12,16,28-triene-1,2,6,10,14,19,20,22,23,25,30,31-dodecol Traditional Name: (12E,16E,28E)-31-[6-[4-[2-[4,5-dihydroxy-6-[(3E,9E,11E)-1,2,8,13-tetrahydroxyheptadeca-3,9,11,16-tetraenyl]tetrahydropyran-2-yl]-1,2-dihydroxy-ethyl]-1-hydroxy-pent-4-enyl]-3,4-dihydroxy-tetrahydropyran-2-yl]-21,28-dimethyl-hentriaconta-12,16,28-triene-1,2,6,10,14,19,20,22,23,25,30,31-dodecol Formula: C67H116O25 MolecularWeight: 1321.62294

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(CC=CCC(C=CCC(CCCC(CCCC(CO)O)O)O)O)O)O)C(C(CC(CCC(=CC(C(C1C(C(CC(O1)C(CCC(=C)C(C(C2CC(C(C(O2)C(C(C=CCCCC(C=CC=CC(CCC=C)O)O)O)O)O)O)O)O)O)O)O)O)O)C)O)O)O

Isomeric SMILES

CC(C(C(C/C=C/CC(/C=C/CC(CCCC(CCCC(CO)O)O)O)O)O)O)C(C(CC(CC/C(=C/C(C(C1C(C(CC(O1)C(CCC(=C)C(C(C2CC(C(C(O2)C(C(/C=C/CCCC(/C=C/C=C/C(CCC=C)O)O)O)O)O)O)O)O)O)O)O)O)O)/C)O)O)O

InChI

InChI=1S/C67H116O25/c1-5-6-17-42(69)19-10-11-20-43(70)18-8-7-9-28-51(78)61(86)66-64(89)55(82)37-57(92-66)65(90)58(83)40(3)31-33-49(76)56-36-54(81)63(88)67(91-56)62(87)52(79)34-39(2)30-32-47(74)35-53(80)60(85)41(4)59(84)50(77)29-13-12-21-44(71)22-14-23-45(72)24-15-25-46(73)26-16-27-48(75)38-68/h5,9-14,19-20,22,28,34,41-90H,1,3,6-8,15-18,21,23-27,29-33,35-38H2,2,4H3/b13-12+,19-10+,20-11+,22-14+,28-9+,39-34+