(3R)-5-[(1R,2S,4aR,8aR)-4a,5-bis(hydroxymethyl)-1,2-dimethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]-3-methyl-pentanoate

Systemtic Name: (3R)-5-[(1R,2S,4aR,8aR)-4a,5-bis(hydroxymethyl)-1,2-dimethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]-3-methyl-pentanoate Openeye Name: (3R)-5-[(1R,2S,4aR,8aR)-4a,5-bis(hydroxymethyl)-1,2-dimethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]-3-methyl-pentanoate CAS Name: (3R)-5-[(1R,2S,4aR,8aR)-4a,5-bis(hydroxymethyl)-1,2-dimethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]-3-methylpentanoate IUPAC Name: (3R)-5-[(1R,2S,4aR,8aR)-4a,5-bis(hydroxymethyl)-1,2-dimethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]-3-methylpentanoate Traditional Name: (3R)-5-[(1R,2S,4aR,8aR)-1,2-dimethyl-4a,5-dimethylol-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]-3-methyl-valerate Formula: C20H33O4- MolecularWeight: 337.47362

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2(C(C1(C)CCC(C)CC(=O)[O-])CCC=C2CO)CO

Isomeric SMILES

C[C@H]1CC[C@]2([C@@H]([C@]1(C)CC[C@@H](C)CC(=O)[O-])CCC=C2CO)CO

InChI

InChI=1S/C20H34O4/c1-14(11-18(23)24)7-9-19(3)15(2)8-10-20(13-22)16(12-21)5-4-6-17(19)20/h5,14-15,17,21-22H,4,6-13H2,1-3H3,(H,23,24)/p-1/t14-,15+,17-,19-,20+/m1/s1