sodium (4bS,8R,8aR)-8-methoxycarbonyl-4b-methyl-2-propan-2-yl-6,7,8,8a,9,10-hexahydro-5H-phenanthrene-3-sulfonate

Systemtic Name: sodium (4bS,8R,8aR)-8-methoxycarbonyl-4b-methyl-2-propan-2-yl-6,7,8,8a,9,10-hexahydro-5H-phenanthrene-3-sulfonate Openeye Name: sodium (4bS,8R,8aR)-2-isopropyl-8-methoxycarbonyl-4b-methyl-6,7,8,8a,9,10-hexahydro-5H-phenanthrene-3-sulfonate CAS Name: sodium (4bS,8R,8aR)-8-methoxycarbonyl-4b-methyl-2-propan-2-yl-6,7,8,8a,9,10-hexahydro-5H-phenanthrene-3-sulfonate IUPAC Name: sodium (4bS,8R,8aR)-8-methoxycarbonyl-4b-methyl-2-propan-2-yl-6,7,8,8a,9,10-hexahydro-5H-phenanthrene-3-sulfonate Traditional Name: sodium (4bS,8R,8aR)-8-carbomethoxy-2-isopropyl-4b-methyl-6,7,8,8a,9,10-hexahydro-5H-phenanthrene-3-sulfonate Formula: C20H27NaO5S MolecularWeight: 402.48015

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C=C2C(=C1)CCC3C2(CCCC3C(=O)OC)C)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

CC(C)C1=C(C=C2C(=C1)CC[C@H]3[C@@]2(CCC[C@H]3C(=O)OC)C)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C20H28O5S.Na/c1-12(2)15-10-13-7-8-16-14(19(21)25-4)6-5-9-20(16,3)17(13)11-18(15)26(22,23)24;/h10-12,14,16H,5-9H2,1-4H3,(H,22,23,24);/q;+1/p-1/t14-,16-,20+;/m1./s1