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

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

CCC(C)(C)C(=O)OC1C2C(C(C=CC2=CC(C1O)C)C)CCC3CC(CC(=O)O3)O

Isomeric SMILES

CCC(C)(C)C(=O)O[C@H]1[C@H]([C@H](C=C2C1[C@H]([C@H](C=C2)C)CCC3C[C@H](CC(=O)O3)O)C)O

InChI

InChI=1S/C25H38O6/c1-6-25(4,5)24(29)31-23-21-16(11-15(3)22(23)28)8-7-14(2)19(21)10-9-18-12-17(26)13-20(27)30-18/h7-8,11,14-15,17-19,21-23,26,28H,6,9-10,12-13H2,1-5H3/t14-,15-,17+,18?,19-,21?,22-,23+/m0/s1