2,2-dimethylpropanoyloxymethyl (2Z)-2-[(3R,4S,5S,8S,9S,10S,11R,13R,14S,16S)-16-acetyloxy-4,8,10,14-tetramethyl-3,11-bis(oxidanyl)-2,3,4,5,6,7,9,11,12,13,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-ylidene]-6-(4-aminophenyl)-5,6-ditritio-hexanoate

Systemtic Name: 2,2-dimethylpropanoyloxymethyl (2Z)-2-[(3R,4S,5S,8S,9S,10S,11R,13R,14S,16S)-16-acetyloxy-4,8,10,14-tetramethyl-3,11-bis(oxidanyl)-2,3,4,5,6,7,9,11,12,13,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-ylidene]-6-(4-aminophenyl)-5,6-ditritio-hexanoate Openeye Name: 2,2-dimethylpropanoyloxymethyl (2Z)-2-[(3R,4S,5S,8S,9S,10S,11R,13R,14S,16S)-16-acetoxy-3,11-dihydroxy-4,8,10,14-tetramethyl-2,3,4,5,6,7,9,11,12,13,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-ylidene]-6-(4-aminophenyl)-5,6-ditritio-hexanoate CAS Name: (2Z)-2-[(3R,4S,5S,8S,9S,10S,11R,13R,14S,16S)-16-acetyloxy-3,11-dihydroxy-4,8,10,14-tetramethyl-2,3,4,5,6,7,9,11,12,13,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-ylidene]-6-(4-aminophenyl)-5,6-ditritiohexanoic acid (2,2-dimethyl-1-oxopropoxy)methyl ester IUPAC Name: 2,2-dimethylpropanoyloxymethyl (2Z)-2-[(3R,4S,5S,8S,9S,10S,11R,13R,14S,16S)-16-acetyloxy-3,11-dihydroxy-4,8,10,14-tetramethyl-2,3,4,5,6,7,9,11,12,13,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-ylidene]-6-(4-aminophenyl)-5,6-ditritiohexanoate Traditional Name: (2Z)-2-[(3R,4S,5S,8S,9S,10S,11R,13R,14S,16S)-16-acetoxy-3,11-dihydroxy-4,8,10,14-tetramethyl-2,3,4,5,6,7,9,11,12,13,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-ylidene]-6-(4-aminophenyl)-5,6-ditritio-hexanoic acid pivaloyloxymethyl ester Formula: C41H61NO8 MolecularWeight: 699.941159

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2CCC3(C(C2(CCC1O)C)C(CC4C3(CC(C4=C(CCCCC5=CC=C(C=C5)N)C(=O)OCOC(=O)C(C)(C)C)OC(=O)C)C)O)C

Isomeric SMILES

[3H]C(CC/C(=C/1\[C@@H]2C[C@H]([C@H]3[C@]4(CC[C@H]([C@H]([C@@H]4CC[C@@]3([C@]2(C[C@@H]1OC(=O)C)C)C)C)O)C)O)/C(=O)OCOC(=O)C(C)(C)C)C([3H])C5=CC=C(C=C5)N

InChI

InChI=1S/C41H61NO8/c1-24-29-17-20-40(7)35(39(29,6)19-18-31(24)44)32(45)21-30-34(33(50-25(2)43)22-41(30,40)8)28(36(46)48-23-49-37(47)38(3,4)5)12-10-9-11-26-13-15-27(42)16-14-26/h13-16,24,29-33,35,44-45H,9-12,17-23,42H2,1-8H3/b34-28-/t24-,29-,30-,31+,32+,33-,35-,39-,40-,41-/m0/s1/i9T,11T/t9?,11?,24-,29-,30-,31+,32+,33-,35-,39-,40-,41-