[(12E,19Z,21E)-24-[(Z)-5-[2-(2,3-dimethyloxiran-2-yl)-1,3-thiazol-4-yl]-4-methyl-2-oxidanyl-pent-3-en-2-yl]-18-methoxy-3,6,9,11,15,19,23-heptamethyl-8,16,17-tris(oxidanyl)-2,10-bis(oxidanylidene)-1-oxacyclotetracosa-12,19,21-trien-3-yl] 2-methyl-3-oxidanyl-butanoate

Systemtic Name: [(12E,19Z,21E)-24-[(Z)-5-[2-(2,3-dimethyloxiran-2-yl)-1,3-thiazol-4-yl]-4-methyl-2-oxidanyl-pent-3-en-2-yl]-18-methoxy-3,6,9,11,15,19,23-heptamethyl-8,16,17-tris(oxidanyl)-2,10-bis(oxidanylidene)-1-oxacyclotetracosa-12,19,21-trien-3-yl] 2-methyl-3-oxidanyl-butanoate Openeye Name: [(12E,19Z,21E)-24-[(Z)-4-[2-(2,3-dimethyloxiran-2-yl)thiazol-4-yl]-1-hydroxy-1,3-dimethyl-but-2-enyl]-8,16,17-trihydroxy-18-methoxy-3,6,9,11,15,19,23-heptamethyl-2,10-dioxo-1-oxacyclotetracosa-12,19,21-trien-3-yl] 3-hydroxy-2-methyl-butanoate CAS Name: 3-hydroxy-2-methylbutanoic acid [(12E,19Z,21E)-24-[(Z)-5-[2-(2,3-dimethyl-2-oxiranyl)-4-thiazolyl]-2-hydroxy-4-methylpent-3-en-2-yl]-8,16,17-trihydroxy-18-methoxy-3,6,9,11,15,19,23-heptamethyl-2,10-dioxo-1-oxacyclotetracosa-12,19,21-trien-3-yl] ester IUPAC Name: [(12E,19Z,21E)-24-[(Z)-5-[2-(2,3-dimethyloxiran-2-yl)-1,3-thiazol-4-yl]-2-hydroxy-4-methylpent-3-en-2-yl]-8,16,17-trihydroxy-18-methoxy-3,6,9,11,15,19,23-heptamethyl-2,10-dioxo-1-oxacyclotetracosa-12,19,21-trien-3-yl] 3-hydroxy-2-methylbutanoate Traditional Name: 3-hydroxy-2-methyl-butyric acid [(12E,19Z,21E)-24-[(Z)-4-[2-(2,3-dimethyloxiran-2-yl)thiazol-4-yl]-1-hydroxy-1,3-dimethyl-but-2-enyl]-8,16,17-trihydroxy-2,10-diketo-18-methoxy-3,6,9,11,15,19,23-heptamethyl-1-oxacyclotetracosa-12,19,21-trien-3-yl] ester Formula: C49H77NO12S MolecularWeight: 904.20018

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(=O)OC(C(C=CC=C(C(C(C(C(CC=CC(C(=O)C(C(C1)O)C)C)C)O)O)OC)C)C)C(C)(C=C(C)CC2=CSC(=N2)C3(C(O3)C)C)O)(C)OC(=O)C(C)C(C)O

Isomeric SMILES

CC1CCC(C(=O)OC(C(/C=C/C=C(\C(C(C(C(C/C=C/C(C(=O)C(C(C1)O)C)C)C)O)O)OC)/C)C)C(C)(/C=C(/C)\CC2=CSC(=N2)C3(C(O3)C)C)O)(C)OC(=O)C(C)C(C)O

InChI

InChI=1S/C49H77NO12S/c1-27-21-22-48(12,62-44(56)33(7)35(9)51)46(57)60-43(47(11,58)25-28(2)23-37-26-63-45(50-37)49(13)36(10)61-49)32(6)20-16-19-31(5)42(59-14)41(55)40(54)30(4)18-15-17-29(3)39(53)34(8)38(52)24-27/h15-17,19-20,25-27,29-30,32-36,38,40-43,51-52,54-55,58H,18,21-24H2,1-14H3/b17-15+,20-16+,28-25-,31-19-