[(8R,9R,10S,13S,14S,17R)-17-ethanoyl-13-[3-[4-[(E)-ethylcarbamoyloxyiminomethyl]phenyl]propyl]-10-methyl-3-oxidanylidene-2,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-17-yl] ethyl carbonate

Systemtic Name: [(8R,9R,10S,13S,14S,17R)-17-ethanoyl-13-[3-[4-[(E)-ethylcarbamoyloxyiminomethyl]phenyl]propyl]-10-methyl-3-oxidanylidene-2,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-17-yl] ethyl carbonate Openeye Name: [(8R,9R,10S,13S,14S,17R)-17-acetyl-13-[3-[4-[(E)-ethylcarbamoyloxyiminomethyl]phenyl]propyl]-10-methyl-3-oxo-2,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-17-yl] ethyl carbonate CAS Name: carbonic acid [(8R,9R,10S,13S,14S,17R)-17-acetyl-13-[3-[4-[(E)-ethylcarbamoyloxyiminomethyl]phenyl]propyl]-10-methyl-3-oxo-2,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-17-yl] ethyl ester IUPAC Name: [(8R,9R,10S,13S,14S,17R)-17-acetyl-13-[3-[4-[(E)-ethylcarbamoyloxyiminomethyl]phenyl]propyl]-10-methyl-3-oxo-2,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-17-yl] ethyl carbonate Traditional Name: carbonic acid [(8R,9R,10S,13S,14S,17R)-17-acetyl-13-[3-[4-[(E)-ethylcarbamoyloximinomethyl]phenyl]propyl]-3-keto-10-methyl-2,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-17-yl] ethyl ester Formula: C36H46N2O7 MolecularWeight: 618.75964

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)ON=CC1=CC=C(C=C1)CCCC23CCC4C(C2CCC3(C(=O)C)OC(=O)OCC)C=CC5=CC(=O)CCC45C

Isomeric SMILES

CCNC(=O)O/N=C/C1=CC=C(C=C1)CCC[C@]23CC[C@@H]4[C@H]([C@@H]2CC[C@@]3(C(=O)C)OC(=O)OCC)C=CC5=CC(=O)CC[C@@]45C

InChI

InChI=1S/C36H46N2O7/c1-5-37-32(41)45-38-23-26-11-9-25(10-12-26)8-7-18-35-20-16-30-29(14-13-27-22-28(40)15-19-34(27,30)4)31(35)17-21-36(35,24(3)39)44-33(42)43-6-2/h9-14,22-23,29-31H,5-8,15-21H2,1-4H3,(H,37,41)/b38-23+/t29-,30-,31+,34-,35+,36+/m1/s1