(4bS,8aS)-4b-methoxycarbonyl-5,8,9,10-tetrahydrophenanthrene-8a-carboxylic acid

Systemtic Name: (4bS,8aS)-4b-methoxycarbonyl-5,8,9,10-tetrahydrophenanthrene-8a-carboxylic acid Openeye Name: (4bS,8aS)-4b-methoxycarbonyl-5,8,9,10-tetrahydrophenanthrene-8a-carboxylic acid CAS Name: (4bS,8aS)-4b-methoxycarbonyl-5,8,9,10-tetrahydrophenanthrene-8a-carboxylic acid IUPAC Name: (4bS,8aS)-4b-methoxycarbonyl-5,8,9,10-tetrahydrophenanthrene-8a-carboxylic acid Traditional Name: (4bS,8aS)-4b-carbomethoxy-5,8,9,10-tetrahydrophenanthrene-8a-carboxylic acid Formula: C17H18O4 MolecularWeight: 286.32242

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C12CC=CCC1(CCC3=CC=CC=C23)C(=O)O

Isomeric SMILES

COC(=O)[C@]12CC=CC[C@]1(CCC3=CC=CC=C23)C(=O)O

InChI

InChI=1S/C17H18O4/c1-21-15(20)17-10-5-4-9-16(17,14(18)19)11-8-12-6-2-3-7-13(12)17/h2-7H,8-11H2,1H3,(H,18,19)/t16-,17+/m0/s1