(2R,3R,5R,10S,12S,13R,14S,17R)-4,4,10,13,14-pentamethyl-17-[(2R,5R)-6-methyl-1,5,6-tris(oxidanyl)heptan-2-yl]-2,3,5,6,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthrene-2,3,12-triol

Systemtic Name: (2R,3R,5R,10S,12S,13R,14S,17R)-4,4,10,13,14-pentamethyl-17-[(2R,5R)-6-methyl-1,5,6-tris(oxidanyl)heptan-2-yl]-2,3,5,6,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthrene-2,3,12-triol Openeye Name: (2R,3R,5R,10S,12S,13R,14S,17R)-17-[(1R,4R)-4,5-dihydroxy-1-(hydroxymethyl)-5-methyl-hexyl]-4,4,10,13,14-pentamethyl-2,3,5,6,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthrene-2,3,12-triol CAS Name: (2R,3R,5R,10S,12S,13R,14S,17R)-4,4,10,13,14-pentamethyl-17-[(2R,5R)-1,5,6-trihydroxy-6-methylheptan-2-yl]-2,3,5,6,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthrene-2,3,12-triol IUPAC Name: (2R,3R,5R,10S,12S,13R,14S,17R)-4,4,10,13,14-pentamethyl-17-[(2R,5R)-1,5,6-trihydroxy-6-methylheptan-2-yl]-2,3,5,6,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthrene-2,3,12-triol Traditional Name: (2R,3R,5R,10S,12S,13R,14S,17R)-17-[(1R,4R)-4,5-dihydroxy-5-methyl-1-methylol-hexyl]-4,4,10,13,14-pentamethyl-2,3,5,6,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthrene-2,3,12-triol Formula: C30H50O6 MolecularWeight: 506.7144

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2CC=C3C(=CC(C4(C3(CCC4C(CCC(C(C)(C)O)O)CO)C)C)O)C2(CC(C1O)O)C)C

Isomeric SMILES

C[C@@]12CC[C@@H]([C@]1([C@H](C=C3C2=CC[C@@H]4[C@@]3(C[C@H]([C@@H](C4(C)C)O)O)C)O)C)[C@@H](CC[C@H](C(C)(C)O)O)CO

InChI

InChI=1S/C30H50O6/c1-26(2)22-10-9-19-20(28(22,5)15-21(32)25(26)35)14-24(34)30(7)18(12-13-29(19,30)6)17(16-31)8-11-23(33)27(3,4)36/h9,14,17-18,21-25,31-36H,8,10-13,15-16H2,1-7H3/t17-,18+,21+,22-,23+,24-,25-,28+,29-,30-/m0/s1