(6R)-6-acetyloxy-6-[(3S,14R,15R)-4,4,10,12,13,14-hexamethyl-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-hexanoic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)C2=C(C(=O)CC3C2(CCC(C3(C)C)O)C)C4(C1(C(CC4O)C(CC(=O)CC(C)C(=O)O)OC(=O)C)C)C

Isomeric SMILES

CC1C(=O)C2=C(C(=O)CC3C2(CC[C@@H](C3(C)C)O)C)[C@]4(C1(C(C[C@H]4O)[C@@H](CC(=O)CC(C)C(=O)O)OC(=O)C)C)C

InChI

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