(2R,4R)-4-[(3R,5S,7R,8R,9S,10S,13S,14S,17S)-10,13-dimethyl-3,7,17-tris(oxidanyl)-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2-oxidanyl-pentanoic acid

Systemtic Name: (2R,4R)-4-[(3R,5S,7R,8R,9S,10S,13S,14S,17S)-10,13-dimethyl-3,7,17-tris(oxidanyl)-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2-oxidanyl-pentanoic acid Openeye Name: (2R,4R)-2-hydroxy-4-[(3R,5S,7R,8R,9S,10S,13S,14S,17S)-3,7,17-trihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid CAS Name: (2R,4R)-2-hydroxy-4-[(3R,5S,7R,8R,9S,10S,13S,14S,17S)-3,7,17-trihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid IUPAC Name: (2R,4R)-2-hydroxy-4-[(3R,5S,7R,8R,9S,10S,13S,14S,17S)-3,7,17-trihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid Traditional Name: (2R,4R)-2-hydroxy-4-[(3R,5S,7R,8R,9S,10S,13S,14S,17S)-3,7,17-trihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-yl]valeric acid Formula: C24H40O6 MolecularWeight: 424.5708

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(C(=O)O)O)C1(CCC2C1(CCC3C2C(CC4C3(CCC(C4)O)C)O)C)O

Isomeric SMILES

C[C@H](C[C@H](C(=O)O)O)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C)O

InChI

InChI=1S/C24H40O6/c1-13(10-19(27)21(28)29)24(30)9-6-17-20-16(5-8-23(17,24)3)22(2)7-4-15(25)11-14(22)12-18(20)26/h13-20,25-27,30H,4-12H2,1-3H3,(H,28,29)/t13-,14+,15-,16+,17+,18-,19-,20-,22+,23+,24+/m1/s1