[(2R,4E,6E,10S,11S,12E,14S,18E)-2-[(2R,3E,5E)-6-acetamido-4-methyl-hexa-3,5-dien-2-yl]-4-methyl-11,14-bis(oxidanyl)-20-oxidanylidene-1-oxacycloicosa-4,6,12,18-tetraen-10-yl] carbamate

Systemtic Name: [(2R,4E,6E,10S,11S,12E,14S,18E)-2-[(2R,3E,5E)-6-acetamido-4-methyl-hexa-3,5-dien-2-yl]-4-methyl-11,14-bis(oxidanyl)-20-oxidanylidene-1-oxacycloicosa-4,6,12,18-tetraen-10-yl] carbamate Openeye Name: [(2R,4E,6E,10S,11S,12E,14S,18E)-2-[(1R,2E,4E)-5-acetamido-1,3-dimethyl-penta-2,4-dienyl]-11,14-dihydroxy-4-methyl-20-oxo-1-oxacycloicosa-4,6,12,18-tetraen-10-yl] carbamate CAS Name: carbamic acid [(2R,4E,6E,10S,11S,12E,14S,18E)-2-[(2R,3E,5E)-6-acetamido-4-methylhexa-3,5-dien-2-yl]-11,14-dihydroxy-4-methyl-20-oxo-1-oxacycloeicosa-4,6,12,18-tetraen-10-yl] ester IUPAC Name: [(2R,4E,6E,10S,11S,12E,14S,18E)-2-[(2R,3E,5E)-6-acetamido-4-methylhexa-3,5-dien-2-yl]-11,14-dihydroxy-4-methyl-20-oxo-1-oxacycloicosa-4,6,12,18-tetraen-10-yl] carbamate Traditional Name: carbamic acid [(2R,4E,6E,10S,11S,12E,14S,18E)-2-[(1R,2E,4E)-5-acetamido-1,3-dimethyl-penta-2,4-dienyl]-11,14-dihydroxy-20-keto-4-methyl-1-oxacycloeicosa-4,6,12,18-tetraen-10-yl] ester Formula: C30H44N2O7 MolecularWeight: 544.67956

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CCCC(C(C=CC(CCCC=CC(=O)OC(C1)C(C)C=C(C)C=CNC(=O)C)O)O)OC(=O)N

Isomeric SMILES

C/C/1=C\C=C\CC[C@@H]([C@H](/C=C/[C@H](CCC/C=C/C(=O)O[C@H](C1)[C@H](C)/C=C(\C)/C=C/NC(=O)C)O)O)OC(=O)N

InChI

InChI=1S/C30H44N2O7/c1-21-11-7-5-9-13-27(39-30(31)37)26(35)16-15-25(34)12-8-6-10-14-29(36)38-28(20-21)23(3)19-22(2)17-18-32-24(4)33/h5,7,10-11,14-19,23,25-28,34-35H,6,8-9,12-13,20H2,1-4H3,(H2,31,37)(H,32,33)/b7-5+,14-10+,16-15+,18-17+,21-11+,22-19+/t23-,25+,26+,27+,28-/m1/s1