[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-[[(1S,3R,9S,10R,13R,14R,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1-oxidanyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]oxan-2-yl]methyl ethanoate

Systemtic Name: [(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-[[(1S,3R,9S,10R,13R,14R,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1-oxidanyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]oxan-2-yl]methyl ethanoate Openeye Name: [(2R,3R,4S,5R,6R)-3,4,5-triacetoxy-6-[[(1S,3R,9S,10R,13R,14R,17R)-17-[(1R)-1,5-dimethylhexyl]-1-hydroxy-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]tetrahydropyran-2-yl]methyl acetate CAS Name: acetic acid [(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-[[(1S,3R,9S,10R,13R,14R,17R)-1-hydroxy-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-2-oxanyl]methyl ester IUPAC Name: [(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-[[(1S,3R,9S,10R,13R,14R,17R)-1-hydroxy-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]oxan-2-yl]methyl acetate Traditional Name: acetic acid [(2R,3R,4S,5R,6R)-3,4,5-triacetoxy-6-[[(1S,3R,9S,10R,13R,14R,17R)-17-[(1R)-1,5-dimethylhexyl]-1-hydroxy-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]tetrahydropyran-2-yl]methyl ester Formula: C41H62O11 MolecularWeight: 730.92438

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCC(C)C1CCC2C1(CCC3C2=CC=C4C3(C(CC(C4)OC5C(C(C(C(O5)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)O)C)C

Isomeric SMILES

C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3C2=CC=C4[C@@]3([C@H](C[C@@H](C4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)O)C)C

InChI

InChI=1S/C41H62O11/c1-22(2)11-10-12-23(3)31-15-16-32-30-14-13-28-19-29(20-35(46)41(28,9)33(30)17-18-40(31,32)8)51-39-38(50-27(7)45)37(49-26(6)44)36(48-25(5)43)34(52-39)21-47-24(4)42/h13-14,22-23,29,31-39,46H,10-12,15-21H2,1-9H3/t23-,29-,31-,32+,33+,34-,35+,36-,37+,38-,39-,40-,41+/m1/s1