(2R,6R)-2-methyl-4-oxidanylidene-6-[(5R,10S,13R,14R,17R)-4,4,10,13,14-pentamethyl-3,7,11,12,15-pentakis(oxidanylidene)-1,2,5,6,16,17-hexahydrocyclopenta[a]phenanthren-17-yl]heptanoic acid

Systemtic Name: (2R,6R)-2-methyl-4-oxidanylidene-6-[(5R,10S,13R,14R,17R)-4,4,10,13,14-pentamethyl-3,7,11,12,15-pentakis(oxidanylidene)-1,2,5,6,16,17-hexahydrocyclopenta[a]phenanthren-17-yl]heptanoic acid Openeye Name: (2R,6R)-2-methyl-4-oxo-6-[(5R,10S,13R,14R,17R)-4,4,10,13,14-pentamethyl-3,7,11,12,15-pentaoxo-1,2,5,6,16,17-hexahydrocyclopenta[a]phenanthren-17-yl]heptanoic acid CAS Name: (2R,6R)-2-methyl-4-oxo-6-[(5R,10S,13R,14R,17R)-4,4,10,13,14-pentamethyl-3,7,11,12,15-pentaoxo-1,2,5,6,16,17-hexahydrocyclopenta[a]phenanthren-17-yl]heptanoic acid IUPAC Name: (2R,6R)-2-methyl-4-oxo-6-[(5R,10S,13R,14R,17R)-4,4,10,13,14-pentamethyl-3,7,11,12,15-pentaoxo-1,2,5,6,16,17-hexahydrocyclopenta[a]phenanthren-17-yl]heptanoic acid Traditional Name: (2R,6R)-4-keto-2-methyl-6-[(5R,10S,13R,14R,17R)-3,7,11,12,15-pentaketo-4,4,10,13,14-pentamethyl-1,2,5,6,16,17-hexahydrocyclopenta[a]phenanthren-17-yl]enanthic acid Formula: C30H38O8 MolecularWeight: 526.61792

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)CC(C)C(=O)O)C1CC(=O)C2(C1(C(=O)C(=O)C3=C2C(=O)CC4C3(CCC(=O)C4(C)C)C)C)C

Isomeric SMILES

C[C@H](CC(=O)C[C@@H](C)C(=O)O)[C@H]1CC(=O)[C@@]2([C@@]1(C(=O)C(=O)C3=C2C(=O)C[C@@H]4[C@@]3(CCC(=O)C4(C)C)C)C)C

InChI

InChI=1S/C30H38O8/c1-14(10-16(31)11-15(2)26(37)38)17-12-21(34)30(7)22-18(32)13-19-27(3,4)20(33)8-9-28(19,5)23(22)24(35)25(36)29(17,30)6/h14-15,17,19H,8-13H2,1-7H3,(H,37,38)/t14-,15-,17-,19+,28+,29+,30+/m1/s1