N-[(4E,6E,9S,10Z,12E)-9-[[(3aS,5R,6S,7S,7aR)-5-(hydroxymethyl)-2-methyl-6,7-bis(oxidanyl)-5,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-b]pyran-2-yl]oxy]-6,12,15,18-tetramethyl-3-oxidanyl-16,19-bis(oxidanylidene)-17-oxabicyclo[13.2.2]nonadeca-4,6,10,12-tetraen-14-yl]-2-oxidanylidene-propanamide

Systemtic Name: N-[(4E,6E,9S,10Z,12E)-9-[[(3aS,5R,6S,7S,7aR)-5-(hydroxymethyl)-2-methyl-6,7-bis(oxidanyl)-5,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-b]pyran-2-yl]oxy]-6,12,15,18-tetramethyl-3-oxidanyl-16,19-bis(oxidanylidene)-17-oxabicyclo[13.2.2]nonadeca-4,6,10,12-tetraen-14-yl]-2-oxidanylidene-propanamide Openeye Name: N-[(4E,6E,9S,10Z,12E)-9-[[(3aS,5R,6S,7S,7aR)-6,7-dihydroxy-5-(hydroxymethyl)-2-methyl-5,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-b]pyran-2-yl]oxy]-3-hydroxy-6,12,15,18-tetramethyl-16,19-dioxo-17-oxabicyclo[13.2.2]nonadeca-4,6,10,12-tetraen-14-yl]-2-oxo-propanamide CAS Name: N-[(4E,6E,9S,10Z,12E)-9-[[(3aS,5R,6S,7S,7aR)-6,7-dihydroxy-5-(hydroxymethyl)-2-methyl-5,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-b]pyran-2-yl]oxy]-3-hydroxy-6,12,15,18-tetramethyl-16,19-dioxo-17-oxabicyclo[13.2.2]nonadeca-4,6,10,12-tetraen-14-yl]-2-oxopropanamide IUPAC Name: N-[(4E,6E,9S,10Z,12E)-9-[[(3aS,5R,6S,7S,7aR)-6,7-dihydroxy-5-(hydroxymethyl)-2-methyl-5,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-b]pyran-2-yl]oxy]-3-hydroxy-6,12,15,18-tetramethyl-16,19-dioxo-17-oxabicyclo[13.2.2]nonadeca-4,6,10,12-tetraen-14-yl]-2-oxopropanamide Traditional Name: N-[(4E,6E,9S,10Z,12E)-9-[[(3aS,5R,6S,7S,7aR)-6,7-dihydroxy-2-methyl-5-methylol-5,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-b]pyran-2-yl]oxy]-3-hydroxy-16,19-diketo-6,12,15,18-tetramethyl-17-oxabicyclo[13.2.2]nonadeca-4,6,10,12-tetraen-14-yl]-2-keto-propionamide Formula: C33H45NO13 MolecularWeight: 663.7093

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2CC(C=CC(=CCC(C=CC(=CC(C(C1=O)(C(=O)O2)C)NC(=O)C(=O)C)C)OC3(OC4C(C(C(OC4O3)CO)O)O)C)C)O

Isomeric SMILES

CC1C2CC(/C=C/C(=C/C[C@@H](/C=C\C(=C\C(C(C1=O)(C(=O)O2)C)NC(=O)C(=O)C)\C)OC3(O[C@@H]4[C@H]([C@@H]([C@H](O[C@H]4O3)CO)O)O)C)/C)O

InChI

InChI=1S/C33H45NO13/c1-16-7-10-20(37)14-22-18(3)28(40)32(5,31(42)44-22)24(34-29(41)19(4)36)13-17(2)9-12-21(11-8-16)45-33(6)46-27-26(39)25(38)23(15-35)43-30(27)47-33/h7-10,12-13,18,20-27,30,35,37-39H,11,14-15H2,1-6H3,(H,34,41)/b10-7+,12-9-,16-8+,17-13+/t18?,20?,21-,22?,23+,24?,25+,26-,27+,30-,32?,33?/m0/s1