(1R,3R,4aS,10aR)-6-chloranyl-1,4a-dimethyl-3-oxidanyl-7-[(2S)-1-oxidanylpropan-2-yl]-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid

Systemtic Name: (1R,3R,4aS,10aR)-6-chloranyl-1,4a-dimethyl-3-oxidanyl-7-[(2S)-1-oxidanylpropan-2-yl]-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid Openeye Name: (1R,3R,4aS,10aR)-6-chloro-3-hydroxy-7-[(1S)-2-hydroxy-1-methyl-ethyl]-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid CAS Name: (1R,3R,4aS,10aR)-6-chloro-3-hydroxy-7-[(2S)-1-hydroxypropan-2-yl]-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid IUPAC Name: (1R,3R,4aS,10aR)-6-chloro-3-hydroxy-7-[(2S)-1-hydroxypropan-2-yl]-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid Traditional Name: (1R,3R,4aS,10aR)-6-chloro-3-hydroxy-7-[(1S)-2-hydroxy-1-methyl-ethyl]-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid Formula: C20H27ClO4 MolecularWeight: 366.87898

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CO)C1=C(C=C2C(=C1)CCC3C2(CC(CC3(C)C(=O)O)O)C)Cl

Isomeric SMILES

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

InChI

InChI=1S/C20H27ClO4/c1-11(10-22)14-6-12-4-5-17-19(2,15(12)7-16(14)21)8-13(23)9-20(17,3)18(24)25/h6-7,11,13,17,22-23H,4-5,8-10H2,1-3H3,(H,24,25)/t11-,13-,17-,19-,20-/m1/s1