N-[(3R,4R,5R,6R)-2-[[(3S,10S,13R,14S,17R)-10,13-dimethyl-14-oxidanyl-17-(5-oxidanylidene-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]-methoxy-amino]-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-3-yl]ethanamide

Systemtic Name: N-[(3R,4R,5R,6R)-2-[[(3S,10S,13R,14S,17R)-10,13-dimethyl-14-oxidanyl-17-(5-oxidanylidene-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]-methoxy-amino]-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-3-yl]ethanamide Openeye Name: N-[(3R,4R,5R,6R)-4,5-dihydroxy-2-[[(3S,10S,13R,14S,17R)-14-hydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]-methoxy-amino]-6-(hydroxymethyl)tetrahydropyran-3-yl]acetamide CAS Name: N-[(3R,4R,5R,6R)-4,5-dihydroxy-2-[[(3S,10S,13R,14S,17R)-14-hydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]-methoxyamino]-6-(hydroxymethyl)-3-oxanyl]acetamide IUPAC Name: N-[(3R,4R,5R,6R)-4,5-dihydroxy-2-[[(3S,10S,13R,14S,17R)-14-hydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]-methoxyamino]-6-(hydroxymethyl)oxan-3-yl]acetamide Traditional Name: N-[(3R,4R,5R,6R)-4,5-dihydroxy-2-[[(3S,10S,13R,14S,17R)-14-hydroxy-17-(5-keto-2H-furan-3-yl)-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]-methoxy-amino]-6-methylol-tetrahydropyran-3-yl]acetamide Formula: C32H50N2O9 MolecularWeight: 606.7474

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1C(C(C(OC1N(C2CCC3(C(C2)CCC4C3CCC5(C4(CCC5C6=CC(=O)OC6)O)C)C)OC)CO)O)O

Isomeric SMILES

CC(=O)N[C@@H]1[C@H]([C@H]([C@H](OC1N([C@H]2CC[C@]3(C(C2)CCC4C3CC[C@]5([C@@]4(CC[C@@H]5C6=CC(=O)OC6)O)C)C)OC)CO)O)O

InChI

InChI=1S/C32H50N2O9/c1-17(36)33-26-28(39)27(38)24(15-35)43-29(26)34(41-4)20-7-10-30(2)19(14-20)5-6-23-22(30)8-11-31(3)21(9-12-32(23,31)40)18-13-25(37)42-16-18/h13,19-24,26-29,35,38-40H,5-12,14-16H2,1-4H3,(H,33,36)/t19?,20-,21+,22?,23?,24+,26+,27-,28+,29?,30-,31+,32-/m0/s1