(8R,9S,13S,14S,17S)-3-(3-bromanylpropoxy)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-ol

Systemtic Name: (8R,9S,13S,14S,17S)-3-(3-bromanylpropoxy)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-ol Openeye Name: (8R,9S,13S,14S,17S)-3-(3-bromopropoxy)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-ol CAS Name: (8R,9S,13S,14S,17S)-3-(3-bromopropoxy)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-ol IUPAC Name: (8R,9S,13S,14S,17S)-3-(3-bromopropoxy)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-ol Traditional Name: (8R,9S,13S,14S,17S)-3-(3-bromopropoxy)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-ol Formula: C21H29BrO2 MolecularWeight: 393.35776

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Descriptors Computed from Structure

Canonical SMILES:

CC12CCC3C(C1CCC2O)CCC4=C3C=CC(=C4)OCCCBr

Isomeric SMILES

C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=C3C=CC(=C4)OCCCBr

InChI

InChI=1S/C21H29BrO2/c1-21-10-9-17-16-6-4-15(24-12-2-11-22)13-14(16)3-5-18(17)19(21)7-8-20(21)23/h4,6,13,17-20,23H,2-3,5,7-12H2,1H3/t17-,18-,19+,20+,21+/m1/s1