(3S,10R,13S,17R)-4,4,10,13-tetramethyl-17-[(2S)-1-thiomorpholin-4-ylpropan-2-yl]-1,2,3,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ol

Systemtic Name: (3S,10R,13S,17R)-4,4,10,13-tetramethyl-17-[(2S)-1-thiomorpholin-4-ylpropan-2-yl]-1,2,3,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ol Openeye Name: (3S,10R,13S,17R)-4,4,10,13-tetramethyl-17-[(1S)-1-methyl-2-thiomorpholino-ethyl]-1,2,3,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ol CAS Name: (3S,10R,13S,17R)-4,4,10,13-tetramethyl-17-[(2S)-1-thiomorpholin-4-ylpropan-2-yl]-1,2,3,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ol IUPAC Name: (3S,10R,13S,17R)-4,4,10,13-tetramethyl-17-[(2S)-1-thiomorpholin-4-ylpropan-2-yl]-1,2,3,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ol Traditional Name: (3S,10R,13S,17R)-4,4,10,13-tetramethyl-17-[(1S)-1-methyl-2-thiomorpholino-ethyl]-1,2,3,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ol Formula: C28H47NOS MolecularWeight: 445.74388

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1CCSCC1)C2CCC3C2(CCC4C3CC=C5C4(CCC(C5(C)C)O)C)C

Isomeric SMILES

C[C@H](CN1CCSCC1)[C@H]2CCC3[C@@]2(CCC4C3CC=C5[C@@]4(CC[C@@H](C5(C)C)O)C)C

InChI

InChI=1S/C28H47NOS/c1-19(18-29-14-16-31-17-15-29)21-7-8-22-20-6-9-24-26(2,3)25(30)11-13-28(24,5)23(20)10-12-27(21,22)4/h9,19-23,25,30H,6-8,10-18H2,1-5H3/t19-,20?,21-,22?,23?,25+,27-,28-/m1/s1