aluminum; sodium; [2-[(8S,9S,10R,11S,13S,14S,17R)-10,13-dimethyl-11,17-bis(oxidanyl)-3-oxidanylidene-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxidanylidene-ethyl] ethanoate; oxidanidyl-oxidanyl-oxidanylidene-sulfanylidene-$l^{6}-sulfane; 2-oxidanylbenzoic acid; trihydroxide

Systemtic Name: aluminum; sodium; [2-[(8S,9S,10R,11S,13S,14S,17R)-10,13-dimethyl-11,17-bis(oxidanyl)-3-oxidanylidene-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxidanylidene-ethyl] ethanoate; oxidanidyl-oxidanyl-oxidanylidene-sulfanylidene-$l^{6}-sulfane; 2-oxidanylbenzoic acid; trihydroxide Openeye Name: aluminum; sodium; [2-[(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxo-ethyl] acetate; 2-hydroxybenzoic acid; hydroxy-oxido-oxo-thioxo-$l^{6}-sulfane; trihydroxide CAS Name: aluminum; sodium; acetic acid [2-[(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] ester; 2-hydroxybenzoic acid; hydroxy-oxido-oxo-sulfanylidene-$l^{6}-sulfane; trihydroxide IUPAC Name: aluminum; sodium; [2-[(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate; 2-hydroxybenzoic acid; hydroxy-oxido-oxo-sulfanylidene-$l^{6}-sulfane; trihydroxide Traditional Name: aluminum; sodium; acetic acid [2-[(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-3-keto-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-keto-ethyl] ester; hydroxy-keto-oxido-thioxo-$l^{6}-sulfane; salicylic acid; trihydroxide Formula: C30H42AlNaO15S2 MolecularWeight: 756.746788

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC(=O)C1(CCC2C1(CC(C3C2CCC4=CC(=O)CCC34C)O)C)O.C1=CC=C(C(=C1)C(=O)O)O.[OH-].[OH-].[OH-].OS(=O)(=S)[O-].[Na+].[Al+3]

Isomeric SMILES

CC(=O)OCC(=O)[C@]1(CC[C@@H]2[C@@]1(C[C@@H]([C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)O)C)O.C1=CC=C(C(=C1)C(=O)O)O.[OH-].[OH-].[OH-].OS(=O)(=S)[O-].[Na+].[Al+3]

InChI

InChI=1S/C23H32O6.C7H6O3.Al.Na.H2O3S2.3H2O/c1-13(24)29-12-19(27)23(28)9-7-17-16-5-4-14-10-15(25)6-8-21(14,2)20(16)18(26)11-22(17,23)3;8-6-4-2-1-3-5(6)7(9)10;;;1-5(2,3)4;;;/h10,16-18,20,26,28H,4-9,11-12H2,1-3H3;1-4,8H,(H,9,10);;;(H2,1,2,3,4);3*1H2/q;;+3;+1;;;;/p-4/t16-,17-,18-,20+,21-,22-,23-;;;;;;;/m0......./s1