(2R,4S,5R,6R)-N-[(8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]-2-methoxy-4,5-bis(oxidanyl)-6-[(1R)-1,2,3-tris(oxidanyl)propyl]oxane-2-carboxamide

Systemtic Name: (2R,4S,5R,6R)-N-[(8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]-2-methoxy-4,5-bis(oxidanyl)-6-[(1R)-1,2,3-tris(oxidanyl)propyl]oxane-2-carboxamide Openeye Name: (2R,4S,5R,6R)-N-[(8R,9S,10S,13R,14S,17R)-17-[(1R)-1,5-dimethylhexyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]-4,5-dihydroxy-2-methoxy-6-[(1R)-1,2,3-trihydroxypropyl]tetrahydropyran-2-carboxamide CAS Name: (2R,4S,5R,6R)-N-[(8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]-4,5-dihydroxy-2-methoxy-6-[(1R)-1,2,3-trihydroxypropyl]-2-oxanecarboxamide IUPAC Name: (2R,4S,5R,6R)-N-[(8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]-4,5-dihydroxy-2-methoxy-6-[(1R)-1,2,3-trihydroxypropyl]oxane-2-carboxamide Traditional Name: (2R,4S,5R,6R)-N-[(8R,9S,10S,13R,14S,17R)-17-[(1R)-1,5-dimethylhexyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]-4,5-dihydroxy-2-methoxy-6-[(1R)-1,2,3-trihydroxypropyl]tetrahydropyran-2-carboxamide Formula: C37H65NO8 MolecularWeight: 651.9139

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCC(C)C1CCC2C1(CCC3C2CCC4C3(CCC(C4)NC(=O)C5(CC(C(C(O5)C(C(CO)O)O)O)O)OC)C)C

Isomeric SMILES

C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4[C@@]3(CCC(C4)NC(=O)[C@]5(C[C@@H]([C@H]([C@@H](O5)[C@@H](C(CO)O)O)O)O)OC)C)C

InChI

InChI=1S/C37H65NO8/c1-21(2)8-7-9-22(3)26-12-13-27-25-11-10-23-18-24(14-16-35(23,4)28(25)15-17-36(26,27)5)38-34(44)37(45-6)19-29(40)31(42)33(46-37)32(43)30(41)20-39/h21-33,39-43H,7-20H2,1-6H3,(H,38,44)/t22-,23?,24?,25+,26-,27+,28+,29+,30?,31-,32-,33-,35+,36-,37-/m1/s1