sodium (2S,3R)-7-[(2S,6R,8S)-8-(2,2-dimethylbutanoyloxy)-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]-2-methyl-3,5-bis(oxidanyl)heptanoate

Systemtic Name: sodium (2S,3R)-7-[(2S,6R,8S)-8-(2,2-dimethylbutanoyloxy)-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]-2-methyl-3,5-bis(oxidanyl)heptanoate Openeye Name: sodium (2S,3R)-7-[(2S,6R,8S)-8-(2,2-dimethylbutanoyloxy)-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]-3,5-dihydroxy-2-methyl-heptanoate CAS Name: sodium (2S,3R)-7-[(2S,6R,8S)-8-(2,2-dimethyl-1-oxobutoxy)-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]-3,5-dihydroxy-2-methylheptanoate IUPAC Name: sodium (2S,3R)-7-[(2S,6R,8S)-8-(2,2-dimethylbutanoyloxy)-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]-3,5-dihydroxy-2-methylheptanoate Traditional Name: sodium (2S,3R)-7-[(2S,6R,8S)-8-(2,2-dimethylbutanoyloxy)-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]-3,5-dihydroxy-2-methyl-enanthate Formula: C26H41NaO6 MolecularWeight: 472.58991

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C(=O)OC1CC(C=C2C1C(C(C=C2)C)CCC(CC(C(C)C(=O)[O-])O)O)C.[Na+]

Isomeric SMILES

CCC(C)(C)C(=O)O[C@H]1C[C@H](C=C2C1C([C@H](C=C2)C)CCC(C[C@H]([C@H](C)C(=O)[O-])O)O)C.[Na+]

InChI

InChI=1S/C26H42O6.Na/c1-7-26(5,6)25(31)32-22-13-15(2)12-18-9-8-16(3)20(23(18)22)11-10-19(27)14-21(28)17(4)24(29)30;/h8-9,12,15-17,19-23,27-28H,7,10-11,13-14H2,1-6H3,(H,29,30);/q;+1/p-1/t15-,16-,17-,19?,20?,21+,22-,23?;/m0./s1