(Q104975571)

English

2-[(1R,2'S,4aS,8aS)-2',5,5,8a-tetramethyl-3-oxospiro[4a,6,7,8-tetrahydro-4H-isochromene-1,5'-oxolane]-2'-yl]acetic acid

chemical compound

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instance of

type of chemical entity

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subclass of

5,5,5',8a-tetramethyl-3-oxo-tetrahydro-4H-spiro[2-benzopyran-1,2'-oxolan]-5'-ylacetic acid

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based on heuristic

inferred from SMILES

mass

324.193673996 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₁₈H₂₈O₅

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canonical SMILES

O=C(O)CC1(OC2(OC(=O)CC3C(C)(C)CCCC32C)CC1)C

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isomeric SMILES

CC1(C)CCC[C@@]2(C)[C@H]1CC(=O)O[C@]21CC[C@@](C)(CC(=O)O)O1

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1 reference

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Identifiers

InChI

InChI=1S/C18H28O5/c1-15(2)6-5-7-17(4)12(15)10-14(21)22-18(17)9-8-16(3,23-18)11-13(19)20/h12H,5-11H2,1-4H3,(H,19,20)/t12-,16-,17-,18-/m0/s1

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InChIKey

DCLCKUFBVFESAH-JUKXBJQTSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

DCLCKUFBVFESAH-JUKXBJQTSA-N

(Q104975571)

2-[(1R,2'S,4aS,8aS)-2',5,5,8a-tetramethyl-3-oxospiro[4a,6,7,8-tetrahydro-4H-isochromene-1,5'-oxolane]-2'-yl]acetic acid

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