[4-[(3S,8R,9S,10R,13S,14S,17R)-10,13-dimethyl-3,17-bis(oxidanyl)-1,2,3,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl]-1,3-thiazol-2-yl]azanium; ethanolate

Systemtic Name: [4-[(3S,8R,9S,10R,13S,14S,17R)-10,13-dimethyl-3,17-bis(oxidanyl)-1,2,3,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl]-1,3-thiazol-2-yl]azanium; ethanolate Openeye Name: [4-[(3S,8R,9S,10R,13S,14S,17R)-3,17-dihydroxy-10,13-dimethyl-1,2,3,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl]thiazol-2-yl]ammonium; ethanolate CAS Name: [4-[(3S,8R,9S,10R,13S,14S,17R)-3,17-dihydroxy-10,13-dimethyl-1,2,3,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl]-2-thiazolyl]ammonium; ethanolate IUPAC Name: [4-[(3S,8R,9S,10R,13S,14S,17R)-3,17-dihydroxy-10,13-dimethyl-1,2,3,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl]-1,3-thiazol-2-yl]azanium; ethanolate Traditional Name: [4-[(3S,8R,9S,10R,13S,14S,17R)-3,17-dihydroxy-10,13-dimethyl-1,2,3,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl]thiazol-2-yl]ammonium; ethanolate Formula: C24H38N2O3S MolecularWeight: 434.63512

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[O-].CC12CCC(C=C1CCC3C2CCC4(C3CCC4(C5=CSC(=N5)[NH3+])O)C)O

Isomeric SMILES

CC[O-].C[C@]12CC[C@@H](C=C1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@]4(C5=CSC(=N5)[NH3+])O)C)O

InChI

InChI=1S/C22H32N2O2S.C2H5O/c1-20-8-5-14(25)11-13(20)3-4-15-16(20)6-9-21(2)17(15)7-10-22(21,26)18-12-27-19(23)24-18;1-2-3/h11-12,14-17,25-26H,3-10H2,1-2H3,(H2,23,24);2H2,1H3/q;-1/p+1/t14-,15+,16-,17-,20-,21-,22-;/m0./s1