O1-methyl O5-[[(2R,3S,4S,5R,6R)-3,4,5-tris(oxidanyl)-6-[[(1R,2R,4R,5S)-4,7,7-trimethyl-2-oxidanyl-5-bicyclo[2.2.1]heptanyl]oxy]oxan-2-yl]methyl] (3S)-3-methyl-3-oxidanyl-pentanedioate

Systemtic Name: O1-methyl O5-[[(2R,3S,4S,5R,6R)-3,4,5-tris(oxidanyl)-6-[[(1R,2R,4R,5S)-4,7,7-trimethyl-2-oxidanyl-5-bicyclo[2.2.1]heptanyl]oxy]oxan-2-yl]methyl] (3S)-3-methyl-3-oxidanyl-pentanedioate Openeye Name: O1-methyl O5-[[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[(1R,2S,4R,5R)-5-hydroxy-1,7,7-trimethyl-norbornan-2-yl]oxy-tetrahydropyran-2-yl]methyl] (3S)-3-hydroxy-3-methyl-pentanedioate CAS Name: (3S)-3-hydroxy-3-methylpentanedioic acid O1-methyl ester O5-[[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[[(1R,2R,4R,5S)-2-hydroxy-4,7,7-trimethyl-5-bicyclo[2.2.1]heptanyl]oxy]-2-oxanyl]methyl] ester IUPAC Name: 1-O-methyl 5-O-[[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[[(1R,2R,4R,5S)-2-hydroxy-4,7,7-trimethyl-5-bicyclo[2.2.1]heptanyl]oxy]oxan-2-yl]methyl] (3S)-3-hydroxy-3-methylpentanedioate Traditional Name: (3S)-3-hydroxy-3-methyl-glutaric acid O1-methyl ester O5-[[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[(1R,2S,4R,5R)-5-hydroxy-1,7,7-trimethyl-norbornan-2-yl]oxy-tetrahydropyran-2-yl]methyl] ester Formula: C23H38O11 MolecularWeight: 490.54122

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2CC(C1(CC2O)C)OC3C(C(C(C(O3)COC(=O)CC(C)(CC(=O)OC)O)O)O)O)C

Isomeric SMILES

C[C@@]12C[C@H]([C@@H](C1(C)C)C[C@@H]2O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)COC(=O)C[C@](C)(CC(=O)OC)O)O)O)O)O

InChI

InChI=1S/C23H38O11/c1-21(2)11-6-14(23(21,4)7-12(11)24)34-20-19(29)18(28)17(27)13(33-20)10-32-16(26)9-22(3,30)8-15(25)31-5/h11-14,17-20,24,27-30H,6-10H2,1-5H3/t11-,12+,13+,14-,17+,18-,19+,20-,22-,23-/m0/s1