(3R,3aR,5S,5aR,9aR,9bR)-3-(2,3-dihydro-1,3-thiazol-4-yl)-3a,6,6-trimethyl-2,3,4,5,5a,7,8,9,9a,9b-decahydro-1H-cyclopenta[a]naphthalen-5-ol; 4-bromanylbenzenesulfonic acid

Systemtic Name: (3R,3aR,5S,5aR,9aR,9bR)-3-(2,3-dihydro-1,3-thiazol-4-yl)-3a,6,6-trimethyl-2,3,4,5,5a,7,8,9,9a,9b-decahydro-1H-cyclopenta[a]naphthalen-5-ol; 4-bromanylbenzenesulfonic acid Openeye Name: (3R,3aR,5S,5aR,9aR,9bR)-3-(2,3-dihydrothiazol-4-yl)-3a,6,6-trimethyl-2,3,4,5,5a,7,8,9,9a,9b-decahydro-1H-cyclopenta[a]naphthalen-5-ol; 4-bromobenzenesulfonic acid CAS Name: (3R,3aR,5S,5aR,9aR,9bR)-3-(2,3-dihydrothiazol-4-yl)-3a,6,6-trimethyl-2,3,4,5,5a,7,8,9,9a,9b-decahydro-1H-cyclopenta[a]naphthalen-5-ol; 4-bromobenzenesulfonic acid IUPAC Name: (3R,3aR,5S,5aR,9aR,9bR)-3-(2,3-dihydro-1,3-thiazol-4-yl)-3a,6,6-trimethyl-2,3,4,5,5a,7,8,9,9a,9b-decahydro-1H-cyclopenta[a]naphthalen-5-ol; 4-bromobenzenesulfonic acid Traditional Name: (3R,3aR,5S,5aR,9aR,9bR)-3a,6,6-trimethyl-3-(4-thiazolin-4-yl)-2,3,4,5,5a,7,8,9,9a,9b-decahydro-1H-benz[e]inden-5-ol; brosylic acid Formula: C25H36BrNO4S2 MolecularWeight: 558.59164

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCCC2C1C(CC3(C2CCC3C4=CSCN4)C)O)C.C1=CC(=CC=C1S(=O)(=O)O)Br

Isomeric SMILES

C[C@@]12C[C@@H]([C@@H]3[C@@H]([C@H]1CC[C@H]2C4=CSCN4)CCCC3(C)C)O.C1=CC(=CC=C1S(=O)(=O)O)Br

InChI

InChI=1S/C19H31NOS.C6H5BrO3S/c1-18(2)8-4-5-12-13-6-7-14(15-10-22-11-20-15)19(13,3)9-16(21)17(12)18;7-5-1-3-6(4-2-5)11(8,9)10/h10,12-14,16-17,20-21H,4-9,11H2,1-3H3;1-4H,(H,8,9,10)/t12-,13-,14+,16+,17+,19-;/m1./s1