(3S,8R,9S,10R,12R,13S,14R,17S)-4,4,10,13,14-pentamethyl-17-[(2S)-6-methyl-2-oxidanyl-hept-5-en-2-yl]-2,3,5,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,12-diol

Systemtic Name: (3S,8R,9S,10R,12R,13S,14R,17S)-4,4,10,13,14-pentamethyl-17-[(2S)-6-methyl-2-oxidanyl-hept-5-en-2-yl]-2,3,5,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,12-diol Openeye Name: (3S,8R,9S,10R,12R,13S,14R,17S)-17-[(1S)-1-hydroxy-1,5-dimethyl-hex-4-enyl]-4,4,10,13,14-pentamethyl-2,3,5,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,12-diol CAS Name: (3S,8R,9S,10R,12R,13S,14R,17S)-17-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-4,4,10,13,14-pentamethyl-2,3,5,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,12-diol IUPAC Name: (3S,8R,9S,10R,12R,13S,14R,17S)-17-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-4,4,10,13,14-pentamethyl-2,3,5,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,12-diol Traditional Name: (3S,8R,9S,10R,12R,13S,14R,17S)-17-[(1S)-1-hydroxy-1,5-dimethyl-hex-4-enyl]-4,4,10,13,14-pentamethyl-2,3,5,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,12-diol Formula: C30H52O3 MolecularWeight: 460.73208

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=CCCC(C)(C1CCC2(C1(C(CC3C2CCC4C3(CCC(C4(C)C)O)C)O)C)C)O)C

Isomeric SMILES

CC(=CCC[C@@](C)([C@H]1CC[C@]2([C@]1([C@@H](C[C@H]3[C@H]2CCC4[C@@]3(CC[C@@H](C4(C)C)O)C)O)C)C)O)C

InChI

InChI=1S/C30H52O3/c1-19(2)10-9-15-29(7,33)23-13-17-28(6)20-11-12-22-26(3,4)24(31)14-16-27(22,5)21(20)18-25(32)30(23,28)8/h10,20-25,31-33H,9,11-18H2,1-8H3/t20-,21+,22?,23-,24+,25-,27-,28-,29+,30-/m1/s1