disodium; 5-[3-(2-carboxylato-4-oxidanylidene-chromen-5-yl)oxy-2-oxidanyl-propoxy]-4-oxidanylidene-chromene-2-carboxylate; (3S,8R,9S,10R,13S,14S)-10,13-dimethyl-3-oxidanyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-one

Systemtic Name: disodium; 5-[3-(2-carboxylato-4-oxidanylidene-chromen-5-yl)oxy-2-oxidanyl-propoxy]-4-oxidanylidene-chromene-2-carboxylate; (3S,8R,9S,10R,13S,14S)-10,13-dimethyl-3-oxidanyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-one Openeye Name: disodium; 5-[3-(2-carboxylato-4-oxo-chromen-5-yl)oxy-2-hydroxy-propoxy]-4-oxo-chromene-2-carboxylate; (3S,8R,9S,10R,13S,14S)-3-hydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-one CAS Name: disodium; 5-[3-[(2-carboxylato-4-oxo-1-benzopyran-5-yl)oxy]-2-hydroxypropoxy]-4-oxo-1-benzopyran-2-carboxylate; (3S,8R,9S,10R,13S,14S)-3-hydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-one IUPAC Name: disodium; 5-[3-(2-carboxylato-4-oxochromen-5-yl)oxy-2-hydroxypropoxy]-4-oxochromene-2-carboxylate; (3S,8R,9S,10R,13S,14S)-3-hydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-one Traditional Name: disodium; 5-[3-(2-carboxylato-4-keto-chromen-5-yl)oxy-2-hydroxy-propoxy]-4-keto-chromene-2-carboxylate; (3S,8R,9S,10R,13S,14S)-3-hydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-one Formula: C42H42Na2O13 MolecularWeight: 800.75462

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Descriptors Computed from Structure

Canonical SMILES:

CC12CCC3C(C1CCC2=O)CC=C4C3(CCC(C4)O)C.C1=CC2=C(C(=C1)OCC(COC3=CC=CC4=C3C(=O)C=C(O4)C(=O)[O-])O)C(=O)C=C(O2)C(=O)[O-].[Na+].[Na+]

Isomeric SMILES

C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CC=C4[C@@]3(CC[C@@H](C4)O)C.C1=CC2=C(C(=C1)OCC(COC3=CC=CC4=C3C(=O)C=C(O4)C(=O)[O-])O)C(=O)C=C(O2)C(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C23H16O11.C19H28O2.2Na/c24-11(9-31-14-3-1-5-16-20(14)12(25)7-18(33-16)22(27)28)10-32-15-4-2-6-17-21(15)13(26)8-19(34-17)23(29)30;1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18;;/h1-8,11,24H,9-10H2,(H,27,28)(H,29,30);3,13-16,20H,4-11H2,1-2H3;;/q;;2*+1/p-2/t;13-,14-,15-,16-,18-,19-;;/m.0../s1