[2-oxidanylidene-2-[(6S,8S,9S,10R,11S,13S,14S,17R)-6,10,13-trimethyl-11,17-bis(oxidanyl)-3-oxidanylidene-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]ethyl] 8-[2-diethylaminoethyl(ethyl)amino]-8-oxidanylidene-octanoate

Systemtic Name: [2-oxidanylidene-2-[(6S,8S,9S,10R,11S,13S,14S,17R)-6,10,13-trimethyl-11,17-bis(oxidanyl)-3-oxidanylidene-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]ethyl] 8-[2-diethylaminoethyl(ethyl)amino]-8-oxidanylidene-octanoate Openeye Name: [2-[(6S,8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-6,10,13-trimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxo-ethyl] 8-[2-diethylaminoethyl(ethyl)amino]-8-oxo-octanoate CAS Name: 8-[2-diethylaminoethyl(ethyl)amino]-8-oxooctanoic acid [2-[(6S,8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-6,10,13-trimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] ester IUPAC Name: [2-[(6S,8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-6,10,13-trimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] 8-[2-diethylaminoethyl(ethyl)amino]-8-oxooctanoate Traditional Name: 8-[2-diethylaminoethyl(ethyl)amino]-8-keto-caprylic acid [2-[(6S,8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-3-keto-6,10,13-trimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-keto-ethyl] ester Formula: C38H60N2O7 MolecularWeight: 656.8922

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCN(CC)C(=O)CCCCCCC(=O)OCC(=O)C1(CCC2C1(CC(C3C2CC(C4=CC(=O)C=CC34C)C)O)C)O

Isomeric SMILES

CCN(CC)CCN(CC)C(=O)CCCCCCC(=O)OCC(=O)[C@]1(CC[C@@H]2[C@@]1(C[C@@H]([C@H]3[C@H]2C[C@@H](C4=CC(=O)C=C[C@]34C)C)O)C)O

InChI

InChI=1S/C38H60N2O7/c1-7-39(8-2)20-21-40(9-3)33(44)14-12-10-11-13-15-34(45)47-25-32(43)38(46)19-17-29-28-22-26(4)30-23-27(41)16-18-36(30,5)35(28)31(42)24-37(29,38)6/h16,18,23,26,28-29,31,35,42,46H,7-15,17,19-22,24-25H2,1-6H3/t26-,28-,29-,31-,35+,36-,37-,38-/m0/s1