(6R)-6-[(3S,5R,10S,12S,13R,14R,15R,17R)-12-acetyloxy-4,4,10,13,14-pentamethyl-3,15-bis(oxidanyl)-7,11-bis(oxidanylidene)-2,3,5,6,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methyl-4-oxidanylidene-heptanoic acid

Systemtic Name: (6R)-6-[(3S,5R,10S,12S,13R,14R,15R,17R)-12-acetyloxy-4,4,10,13,14-pentamethyl-3,15-bis(oxidanyl)-7,11-bis(oxidanylidene)-2,3,5,6,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methyl-4-oxidanylidene-heptanoic acid Openeye Name: (6R)-6-[(3S,5R,10S,12S,13R,14R,15R,17R)-12-acetoxy-3,15-dihydroxy-4,4,10,13,14-pentamethyl-7,11-dioxo-2,3,5,6,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methyl-4-oxo-heptanoic acid CAS Name: (6R)-6-[(3S,5R,10S,12S,13R,14R,15R,17R)-12-acetyloxy-3,15-dihydroxy-4,4,10,13,14-pentamethyl-7,11-dioxo-2,3,5,6,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methyl-4-oxoheptanoic acid IUPAC Name: (6R)-6-[(3S,5R,10S,12S,13R,14R,15R,17R)-12-acetyloxy-3,15-dihydroxy-4,4,10,13,14-pentamethyl-7,11-dioxo-2,3,5,6,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methyl-4-oxoheptanoic acid Traditional Name: (6R)-6-[(3S,5R,10S,12S,13R,14R,15R,17R)-12-acetoxy-3,15-dihydroxy-7,11-diketo-4,4,10,13,14-pentamethyl-2,3,5,6,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-4-keto-2-methyl-enanthic acid Formula: C32H46O9 MolecularWeight: 574.70224

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C32H46O9/c1-15(11-18(34)12-16(2)28(39)40)19-13-23(37)32(8)24-20(35)14-21-29(4,5)22(36)9-10-30(21,6)25(24)26(38)27(31(19,32)7)41-17(3)33/h15-16,19,21-23,27,36-37H,9-14H2,1-8H3,(H,39,40)/t15-,16?,19-,21+,22+,23-,27-,30+,31+,32+/m1/s1