[(3S,4S,5R,8Z,10S,11R,12S,13Z)-16-[(2S,3R,4S,5R)-3,5-dimethyl-4-oxidanyl-6-oxidanylidene-oxan-2-yl]-2,4,10,12-tetramethyl-5,11-bis(oxidanyl)hexadeca-8,13-dien-3-yl] carbamate

Systemtic Name: [(3S,4S,5R,8Z,10S,11R,12S,13Z)-16-[(2S,3R,4S,5R)-3,5-dimethyl-4-oxidanyl-6-oxidanylidene-oxan-2-yl]-2,4,10,12-tetramethyl-5,11-bis(oxidanyl)hexadeca-8,13-dien-3-yl] carbamate Openeye Name: [(1S,2S,3R,6Z,8S,9R,10S,11Z)-3,9-dihydroxy-14-[(2S,3R,4S,5R)-4-hydroxy-3,5-dimethyl-6-oxo-tetrahydropyran-2-yl]-1-isopropyl-2,8,10-trimethyl-tetradeca-6,11-dienyl] carbamate CAS Name: carbamic acid [(3S,4S,5R,8Z,10S,11R,12S,13Z)-5,11-dihydroxy-16-[(2S,3R,4S,5R)-4-hydroxy-3,5-dimethyl-6-oxo-2-oxanyl]-2,4,10,12-tetramethylhexadeca-8,13-dien-3-yl] ester IUPAC Name: [(3S,4S,5R,8Z,10S,11R,12S,13Z)-5,11-dihydroxy-16-[(2S,3R,4S,5R)-4-hydroxy-3,5-dimethyl-6-oxooxan-2-yl]-2,4,10,12-tetramethylhexadeca-8,13-dien-3-yl] carbamate Traditional Name: carbamic acid [(1S,2S,3R,6Z,8S,9R,10S,11Z)-3,9-dihydroxy-14-[(2S,3R,4S,5R)-4-hydroxy-6-keto-3,5-dimethyl-tetrahydropyran-2-yl]-1-isopropyl-2,8,10-trimethyl-tetradeca-6,11-dienyl] ester Formula: C28H49NO7 MolecularWeight: 511.69116

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(OC(=O)C(C1O)C)CCC=CC(C)C(C(C)C=CCCC(C(C)C(C(C)C)OC(=O)N)O)O

Isomeric SMILES

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

InChI

InChI=1S/C28H49NO7/c1-16(2)26(36-28(29)34)19(5)22(30)14-10-8-12-17(3)24(31)18(4)13-9-11-15-23-20(6)25(32)21(7)27(33)35-23/h8-9,12-13,16-26,30-32H,10-11,14-15H2,1-7H3,(H2,29,34)/b12-8-,13-9-/t17-,18-,19-,20-,21+,22+,23-,24+,25-,26-/m0/s1