[(3S,8R,9R,10R,13S,14R,16S,17R)-17-methoxy-10,13-dimethyl-16-oxidanyl-17-[1-(oxidanylamino)ethenyl]-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl] ethanoate

Systemtic Name: [(3S,8R,9R,10R,13S,14R,16S,17R)-17-methoxy-10,13-dimethyl-16-oxidanyl-17-[1-(oxidanylamino)ethenyl]-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl] ethanoate Openeye Name: [(3S,8R,9R,10R,13S,14R,16S,17R)-16-hydroxy-17-[1-(hydroxyamino)vinyl]-17-methoxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl] acetate CAS Name: acetic acid [(3S,8R,9R,10R,13S,14R,16S,17R)-16-hydroxy-17-[1-(hydroxyamino)ethenyl]-17-methoxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl] ester IUPAC Name: [(3S,8R,9R,10R,13S,14R,16S,17R)-16-hydroxy-17-[1-(hydroxyamino)ethenyl]-17-methoxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl] acetate Traditional Name: acetic acid [(3S,8R,9R,10R,13S,14R,16S,17R)-16-hydroxy-17-[1-(hydroxyamino)vinyl]-17-methoxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl] ester Formula: C24H37NO5 MolecularWeight: 419.55428

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1CCC2(C3CCC4(C(C3CC=C2C1)CC(C4(C(=C)NO)OC)O)C)C

Isomeric SMILES

CC(=O)O[C@H]1CC[C@@]2([C@@H]3CC[C@]4([C@@H]([C@@H]3CC=C2C1)C[C@@H]([C@@]4(C(=C)NO)OC)O)C)C

InChI

InChI=1S/C24H37NO5/c1-14(25-28)24(29-5)21(27)13-20-18-7-6-16-12-17(30-15(2)26)8-10-22(16,3)19(18)9-11-23(20,24)4/h6,17-21,25,27-28H,1,7-13H2,2-5H3/t17-,18+,19+,20+,21-,22-,23-,24+/m0/s1