2-[[(8R,9R,10S,11R,13S,14S,17S)-10,13-dimethyl-11,17-bis(oxidanyl)-17-(2-oxidanylethanoyl)-1,6,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-yl]amino]oxy-N-[2-(4-hydroxyphenyl)ethyl]ethanamide

Systemtic Name: 2-[[(8R,9R,10S,11R,13S,14S,17S)-10,13-dimethyl-11,17-bis(oxidanyl)-17-(2-oxidanylethanoyl)-1,6,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-yl]amino]oxy-N-[2-(4-hydroxyphenyl)ethyl]ethanamide Openeye Name: 2-[[(8R,9R,10S,11R,13S,14S,17S)-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-1,6,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-yl]amino]oxy-N-[2-(4-hydroxyphenyl)ethyl]acetamide CAS Name: 2-[[(8R,9R,10S,11R,13S,14S,17S)-11,17-dihydroxy-17-(2-hydroxy-1-oxoethyl)-10,13-dimethyl-1,6,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-yl]amino]oxy-N-[2-(4-hydroxyphenyl)ethyl]acetamide IUPAC Name: 2-[[(8R,9R,10S,11R,13S,14S,17S)-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-1,6,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-yl]amino]oxy-N-[2-(4-hydroxyphenyl)ethyl]acetamide Traditional Name: 2-[[(8R,9R,10S,11R,13S,14S,17S)-17-glycoloyl-11,17-dihydroxy-10,13-dimethyl-1,6,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-yl]amino]oxy-N-[2-(4-hydroxyphenyl)ethyl]acetamide Formula: C31H42N2O7 MolecularWeight: 554.67438

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Descriptors Computed from Structure

Canonical SMILES:

CC12CC=C(C=C1CCC3C2C(CC4(C3CCC4(C(=O)CO)O)C)O)NOCC(=O)NCCC5=CC=C(C=C5)O

Isomeric SMILES

C[C@@]12CC=C(C=C1CC[C@H]3[C@H]2[C@@H](C[C@]4([C@H]3CC[C@]4(C(=O)CO)O)C)O)NOCC(=O)NCCC5=CC=C(C=C5)O

InChI

InChI=1S/C31H42N2O7/c1-29-12-9-21(33-40-18-27(38)32-14-11-19-3-6-22(35)7-4-19)15-20(29)5-8-23-24-10-13-31(39,26(37)17-34)30(24,2)16-25(36)28(23)29/h3-4,6-7,9,15,23-25,28,33-36,39H,5,8,10-14,16-18H2,1-2H3,(H,32,38)/t23-,24+,25-,28+,29-,30+,31-/m1/s1