[(3Z,5S,6S,7S,8R,9S,11Z,13S,14R,15S,16Z,18S)-5,7,9,13,15-pentamethyl-19-[(2S,3R)-3-methyl-6-oxidanylidene-2,3-dihydropyran-2-yl]-8,14,18-tris(oxidanyl)nonadeca-1,3,11,16-tetraen-6-yl] carbamate

Systemtic Name: [(3Z,5S,6S,7S,8R,9S,11Z,13S,14R,15S,16Z,18S)-5,7,9,13,15-pentamethyl-19-[(2S,3R)-3-methyl-6-oxidanylidene-2,3-dihydropyran-2-yl]-8,14,18-tris(oxidanyl)nonadeca-1,3,11,16-tetraen-6-yl] carbamate Openeye Name: [(1S,2S,3R,4S,6Z,8S,9R,10S,11Z,13S)-3,9,13-trihydroxy-2,4,8,10-tetramethyl-14-[(2S,3R)-3-methyl-6-oxo-2,3-dihydropyran-2-yl]-1-[(1S,2Z)-1-methylpenta-2,4-dienyl]tetradeca-6,11-dienyl] carbamate CAS Name: carbamic acid [(3Z,5S,6S,7S,8R,9S,11Z,13S,14R,15S,16Z,18S)-8,14,18-trihydroxy-5,7,9,13,15-pentamethyl-19-[(2S,3R)-3-methyl-6-oxo-2,3-dihydropyran-2-yl]nonadeca-1,3,11,16-tetraen-6-yl] ester IUPAC Name: [(3Z,5S,6S,7S,8R,9S,11Z,13S,14R,15S,16Z,18S)-8,14,18-trihydroxy-5,7,9,13,15-pentamethyl-19-[(2S,3R)-3-methyl-6-oxo-2,3-dihydropyran-2-yl]nonadeca-1,3,11,16-tetraen-6-yl] carbamate Traditional Name: carbamic acid [(1S,2S,3R,4S,6Z,8S,9R,10S,11Z,13S)-3,9,13-trihydroxy-14-[(2S,3R)-6-keto-3-methyl-2,3-dihydropyran-2-yl]-2,4,8,10-tetramethyl-1-[(1S,2Z)-1-methylpenta-2,4-dienyl]tetradeca-6,11-dienyl] ester Formula: C31H49NO7 MolecularWeight: 547.72326

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Descriptors Computed from Structure

Canonical SMILES:

CC1C=CC(=O)OC1CC(C=CC(C)C(C(C)C=CCC(C)C(C(C)C(C(C)C=CC=C)OC(=O)N)O)O)O

Isomeric SMILES

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

InChI

InChI=1S/C31H49NO7/c1-8-9-11-23(6)30(39-31(32)37)24(7)29(36)21(4)13-10-12-20(3)28(35)22(5)14-16-25(33)18-26-19(2)15-17-27(34)38-26/h8-12,14-17,19-26,28-30,33,35-36H,1,13,18H2,2-7H3,(H2,32,37)/b11-9-,12-10-,16-14-/t19-,20+,21+,22+,23+,24+,25-,26+,28-,29-,30+/m1/s1