7-oxidanyl-4b-(phenylmethyl)-7-propyl-5,6,8,8a,9,10-hexahydrophenanthrene-2-carboxylic acid

Systemtic Name: 7-oxidanyl-4b-(phenylmethyl)-7-propyl-5,6,8,8a,9,10-hexahydrophenanthrene-2-carboxylic acid Openeye Name: 4b-benzyl-7-hydroxy-7-propyl-5,6,8,8a,9,10-hexahydrophenanthrene-2-carboxylic acid CAS Name: 7-hydroxy-4b-(phenylmethyl)-7-propyl-5,6,8,8a,9,10-hexahydrophenanthrene-2-carboxylic acid IUPAC Name: 4b-benzyl-7-hydroxy-7-propyl-5,6,8,8a,9,10-hexahydrophenanthrene-2-carboxylic acid Traditional Name: 4b-benzyl-7-hydroxy-7-propyl-5,6,8,8a,9,10-hexahydrophenanthrene-2-carboxylic acid Formula: C25H30O3 MolecularWeight: 378.5039

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1(CCC2(C(C1)CCC3=C2C=CC(=C3)C(=O)O)CC4=CC=CC=C4)O

Isomeric SMILES

CCCC1(CCC2(C(C1)CCC3=C2C=CC(=C3)C(=O)O)CC4=CC=CC=C4)O

InChI

InChI=1S/C25H30O3/c1-2-12-24(28)13-14-25(16-18-6-4-3-5-7-18)21(17-24)10-8-19-15-20(23(26)27)9-11-22(19)25/h3-7,9,11,15,21,28H,2,8,10,12-14,16-17H2,1H3,(H,26,27)