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

Systemtic Name: [(3S,5R,6R,8R,9S,10R,13S,14S,16R,17R)-17-ethanoyl-10,13,16-trimethyl-5,6,17-tris(oxidanyl)-2,3,4,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] ethanoate Openeye Name: [(3S,5R,6R,8R,9S,10R,13S,14S,16R,17R)-17-acetyl-5,6,17-trihydroxy-10,13,16-trimethyl-2,3,4,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate CAS Name: acetic acid [(3S,5R,6R,8R,9S,10R,13S,14S,16R,17R)-17-acetyl-5,6,17-trihydroxy-10,13,16-trimethyl-2,3,4,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] ester IUPAC Name: [(3S,5R,6R,8R,9S,10R,13S,14S,16R,17R)-17-acetyl-5,6,17-trihydroxy-10,13,16-trimethyl-2,3,4,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate Traditional Name: acetic acid [(3S,5R,6R,8R,9S,10R,13S,14S,16R,17R)-17-acetyl-5,6,17-trihydroxy-10,13,16-trimethyl-2,3,4,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] ester Formula: C24H38O6 MolecularWeight: 422.55492

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2C3CC(C4(CC(CCC4(C3CCC2(C1(C(=O)C)O)C)C)OC(=O)C)O)O

Isomeric SMILES

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

InChI

InChI=1S/C24H38O6/c1-13-10-19-17-11-20(27)23(28)12-16(30-15(3)26)6-8-21(23,4)18(17)7-9-22(19,5)24(13,29)14(2)25/h13,16-20,27-29H,6-12H2,1-5H3/t13-,16+,17-,18+,19+,20-,21-,22+,23+,24+/m1/s1