[(1R,7S,8S,8aR)-3,7-dimethyl-2-oxidanyl-8-[2-[(2R)-4-oxidanyl-6-oxidanylidene-oxan-2-yl]ethyl]-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 3,3-dimethylbutanoate

Systemtic Name: [(1R,7S,8S,8aR)-3,7-dimethyl-2-oxidanyl-8-[2-[(2R)-4-oxidanyl-6-oxidanylidene-oxan-2-yl]ethyl]-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 3,3-dimethylbutanoate Openeye Name: [(1R,7S,8S,8aR)-2-hydroxy-8-[2-[(2R)-4-hydroxy-6-oxo-tetrahydropyran-2-yl]ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 3,3-dimethylbutanoate CAS Name: 3,3-dimethylbutanoic acid [(1R,7S,8S,8aR)-2-hydroxy-8-[2-[(2R)-4-hydroxy-6-oxo-2-oxanyl]ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] ester IUPAC Name: [(1R,7S,8S,8aR)-2-hydroxy-8-[2-[(2R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 3,3-dimethylbutanoate Traditional Name: 3,3-dimethylbutyric acid [(1R,7S,8S,8aR)-2-hydroxy-8-[2-[(2R)-4-hydroxy-6-keto-tetrahydropyran-2-yl]ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] ester Formula: C25H38O6 MolecularWeight: 434.56562

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Descriptors Computed from Structure

Canonical SMILES:

CC1C=CC2=CC(C(C(C2C1CCC3CC(CC(=O)O3)O)OC(=O)CC(C)(C)C)O)C

Isomeric SMILES

C[C@H]1C=CC2=CC(C([C@@H]([C@@H]2[C@H]1CC[C@@H]3CC(CC(=O)O3)O)OC(=O)CC(C)(C)C)O)C

InChI

InChI=1S/C25H38O6/c1-14-6-7-16-10-15(2)23(29)24(31-21(28)13-25(3,4)5)22(16)19(14)9-8-18-11-17(26)12-20(27)30-18/h6-7,10,14-15,17-19,22-24,26,29H,8-9,11-13H2,1-5H3/t14-,15?,17?,18+,19-,22-,23?,24+/m0/s1