(1S,2R,3R,9S,10R,13S,14R,17S)-10,13-dimethyl-17-[(1S)-1-(3-methyl-3-oxidanyl-butoxy)ethyl]-2-tritio-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-1,3-diol

Systemtic Name: (1S,2R,3R,9S,10R,13S,14R,17S)-10,13-dimethyl-17-[(1S)-1-(3-methyl-3-oxidanyl-butoxy)ethyl]-2-tritio-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-1,3-diol Openeye Name: (1S,2R,3R,9S,10R,13S,14R,17S)-17-[(1S)-1-(3-hydroxy-3-methyl-butoxy)ethyl]-10,13-dimethyl-2-tritio-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-1,3-diol CAS Name: (1S,2R,3R,9S,10R,13S,14R,17S)-17-[(1S)-1-(3-hydroxy-3-methylbutoxy)ethyl]-10,13-dimethyl-2-tritio-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-1,3-diol IUPAC Name: (1S,2R,3R,9S,10R,13S,14R,17S)-17-[(1S)-1-(3-hydroxy-3-methylbutoxy)ethyl]-10,13-dimethyl-2-tritio-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-1,3-diol Traditional Name: (1S,2R,3R,9S,10R,13S,14R,17S)-17-[(1S)-1-(3-hydroxy-3-methyl-butoxy)ethyl]-10,13-dimethyl-2-tritio-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-1,3-diol Formula: C26H42O4 MolecularWeight: 420.617389

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1CCC2C1(CCC3C2=CC=C4C3(C(CC(C4)O)O)C)C)OCCC(C)(C)O

Isomeric SMILES

[H][C@]1([C@@H](CC2=CC=C3[C@@H]4CC[C@@H]([C@]4(CC[C@@H]3[C@]2([C@H]1O)C)C)[C@H](C)OCCC(C)(C)O)O)[3H]

InChI

InChI=1S/C26H42O4/c1-16(30-13-12-24(2,3)29)20-8-9-21-19-7-6-17-14-18(27)15-23(28)26(17,5)22(19)10-11-25(20,21)4/h6-7,16,18,20-23,27-29H,8-15H2,1-5H3/t16-,18+,20+,21-,22-,23-,25+,26-/m0/s1/i15T/t15-,16+,18-,20-,21+,22+,23+,25-,26+/m1