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

Systemtic Name: [(3S,8R,10S,14R,17S)-11-acetyloxy-4,4,8,10,14-pentamethyl-17-(6-methyl-2-oxidanyl-hept-5-en-2-yl)-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] ethanoate Openeye Name: [(3S,8R,10S,14R,17S)-11-acetoxy-17-(1-hydroxy-1,5-dimethyl-hex-4-enyl)-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate CAS Name: acetic acid [(3S,8R,10S,14R,17S)-11-acetyloxy-17-(2-hydroxy-6-methylhept-5-en-2-yl)-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] ester IUPAC Name: [(3S,8R,10S,14R,17S)-11-acetyloxy-17-(2-hydroxy-6-methylhept-5-en-2-yl)-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate Traditional Name: acetic acid [(3S,8R,10S,14R,17S)-11-acetoxy-17-(1-hydroxy-1,5-dimethyl-hex-4-enyl)-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] ester Formula: C34H56O5 MolecularWeight: 544.80544

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=CCCC(C)(C1CCC2(C1CC(C3C2(CCC4C3(CCC(C4(C)C)OC(=O)C)C)C)OC(=O)C)C)O)C

Isomeric SMILES

CC(=CCCC(C)([C@H]1CC[C@@]2(C1CC(C3[C@]2(CCC4[C@@]3(CC[C@@H](C4(C)C)OC(=O)C)C)C)OC(=O)C)C)O)C

InChI

InChI=1S/C34H56O5/c1-21(2)12-11-16-34(10,37)24-13-18-32(8)25(24)20-26(38-22(3)35)29-31(7)17-15-28(39-23(4)36)30(5,6)27(31)14-19-33(29,32)9/h12,24-29,37H,11,13-20H2,1-10H3/t24-,25?,26?,27?,28-,29?,31-,32+,33+,34?/m0/s1