4a-methyl-7-propan-2-yl-1-(sulfomethyl)-2,3,4,4b,5,6,7,8,10,10a-decahydrophenanthrene-1-carboxylic acid

Systemtic Name: 4a-methyl-7-propan-2-yl-1-(sulfomethyl)-2,3,4,4b,5,6,7,8,10,10a-decahydrophenanthrene-1-carboxylic acid Openeye Name: 7-isopropyl-4a-methyl-1-(sulfomethyl)-2,3,4,4b,5,6,7,8,10,10a-decahydrophenanthrene-1-carboxylic acid CAS Name: 4a-methyl-7-propan-2-yl-1-(sulfomethyl)-2,3,4,4b,5,6,7,8,10,10a-decahydrophenanthrene-1-carboxylic acid IUPAC Name: 4a-methyl-7-propan-2-yl-1-(sulfomethyl)-2,3,4,4b,5,6,7,8,10,10a-decahydrophenanthrene-1-carboxylic acid Traditional Name: 7-isopropyl-4a-methyl-1-(sulfomethyl)-2,3,4,4b,5,6,7,8,10,10a-decahydrophenanthrene-1-carboxylic acid Formula: C20H32O5S MolecularWeight: 384.53008

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1CCC2C(=CCC3C2(CCCC3(CS(=O)(=O)O)C(=O)O)C)C1

Isomeric SMILES

CC(C)C1CCC2C(=CCC3C2(CCCC3(CS(=O)(=O)O)C(=O)O)C)C1

InChI

InChI=1S/C20H32O5S/c1-13(2)14-5-7-16-15(11-14)6-8-17-19(16,3)9-4-10-20(17,18(21)22)12-26(23,24)25/h6,13-14,16-17H,4-5,7-12H2,1-3H3,(H,21,22)(H,23,24,25)