(1R,4aS,10aR)-6-chloranyl-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid

Systemtic Name: (1R,4aS,10aR)-6-chloranyl-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid Openeye Name: (1R,4aS,10aR)-6-chloro-7-isopropyl-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid CAS Name: (1R,4aS,10aR)-6-chloro-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid IUPAC Name: (1R,4aS,10aR)-6-chloro-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid Traditional Name: (1R,4aS,10aR)-6-chloro-7-isopropyl-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid Formula: C20H27ClO2 MolecularWeight: 334.88018

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C=C2C(=C1)CCC3C2(CCCC3(C)C(=O)O)C)Cl

Isomeric SMILES

CC(C)C1=C(C=C2C(=C1)CC[C@@H]3[C@@]2(CCC[C@@]3(C)C(=O)O)C)Cl

InChI

InChI=1S/C20H27ClO2/c1-12(2)14-10-13-6-7-17-19(3,15(13)11-16(14)21)8-5-9-20(17,4)18(22)23/h10-12,17H,5-9H2,1-4H3,(H,22,23)/t17-,19-,20-/m1/s1