(1S,2R)-1-[[(1R,4aS,6R,8aR)-2,5,5,8a-tetramethyl-6-oxidanyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]methoxy]propane-1,2,3-tricarboxylic acid

Systemtic Name: (1S,2R)-1-[[(1R,4aS,6R,8aR)-2,5,5,8a-tetramethyl-6-oxidanyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]methoxy]propane-1,2,3-tricarboxylic acid Openeye Name: (1S,2R)-1-[[(1R,4aS,6R,8aR)-6-hydroxy-2,5,5,8a-tetramethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]methoxy]propane-1,2,3-tricarboxylic acid CAS Name: (1S,2R)-1-[[(1R,4aS,6R,8aR)-6-hydroxy-2,5,5,8a-tetramethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]methoxy]propane-1,2,3-tricarboxylic acid IUPAC Name: (1S,2R)-1-[[(1R,4aS,6R,8aR)-6-hydroxy-2,5,5,8a-tetramethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]methoxy]propane-1,2,3-tricarboxylic acid Traditional Name: (1S,2R)-1-[[(1R,4aS,6R,8aR)-6-hydroxy-2,5,5,8a-tetramethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]methoxy]propane-1,2,3-tricarboxylic acid Formula: C21H32O8 MolecularWeight: 412.47398

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CCC2C(C(CCC2(C1COC(C(CC(=O)O)C(=O)O)C(=O)O)C)O)(C)C

Isomeric SMILES

CC1=CC[C@H]2[C@]([C@@H]1CO[C@@H]([C@@H](CC(=O)O)C(=O)O)C(=O)O)(CC[C@H](C2(C)C)O)C

InChI

InChI=1S/C21H32O8/c1-11-5-6-14-20(2,3)15(22)7-8-21(14,4)13(11)10-29-17(19(27)28)12(18(25)26)9-16(23)24/h5,12-15,17,22H,6-10H2,1-4H3,(H,23,24)(H,25,26)(H,27,28)/t12-,13-,14-,15-,17+,21+/m1/s1