2-[4-[(3R,5R,6S,8S,9S,10R,13R,14S)-10,13-dimethyl-3,6-bis(oxidanyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoylamino]ethanoate

Systemtic Name: 2-[4-[(3R,5R,6S,8S,9S,10R,13R,14S)-10,13-dimethyl-3,6-bis(oxidanyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoylamino]ethanoate Openeye Name: 2-[4-[(3R,5R,6S,8S,9S,10R,13R,14S)-3,6-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoylamino]acetate CAS Name: 2-[[4-[(3R,5R,6S,8S,9S,10R,13R,14S)-3,6-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-1-oxopentyl]amino]acetate IUPAC Name: 2-[4-[(3R,5R,6S,8S,9S,10R,13R,14S)-3,6-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoylamino]acetate Traditional Name: 2-[4-[(3R,5R,6S,8S,9S,10R,13R,14S)-3,6-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoylamino]acetate Formula: C26H42NO5- MolecularWeight: 448.61538

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC(=O)NCC(=O)[O-])C1CCC2C1(CCC3C2CC(C4C3(CCC(C4)O)C)O)C

Isomeric SMILES

CC(CCC(=O)NCC(=O)[O-])C1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C[C@@H]([C@H]4[C@@]3(CC[C@H](C4)O)C)O)C

InChI

InChI=1S/C26H43NO5/c1-15(4-7-23(30)27-14-24(31)32)18-5-6-19-17-13-22(29)21-12-16(28)8-10-26(21,3)20(17)9-11-25(18,19)2/h15-22,28-29H,4-14H2,1-3H3,(H,27,30)(H,31,32)/p-1/t15?,16-,17+,18?,19+,20+,21+,22+,25-,26-/m1/s1