(Q105198031)

English

(2S)-3-[2-[(1R,2R,3R,4aS,8aS)-1,3-dihydroxy-2,5,5,8a-tetramethyl-4-oxo-2,3,4a,6,7,8-hexahydronaphthalen-1-yl]ethyl]-2-hydroxy-2H-furan-5-one

chemical compound

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subclass of

3-[2-(1,3-dihydroxy-2,5,5,8a-tetramethyl-4-oxo-2,3,4a,6,7,8-hexahydronaphthalen-1-yl)ethyl]-2-hydroxy-2H-furan-5-one

1 reference

1 reference

366.20423868 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₀H₃₀O₆

0 references

canonical SMILES

O=C1OC(O)C(=C1)CCC2(O)C(C)C(O)C(=O)C3C(C)(C)CCCC32C

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isomeric SMILES

C[C@@H]1[C@@H](O)C(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@@]1(O)CCC1=CC(=O)O[C@@H]1O

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found in taxon

Leonurus sibiricus

2 references

stated in

Labdane diterpenes of Leonurus sibiricus

stated in

Labdane diterpenes of Leonurus sibiricus

Identifiers

InChI

InChI=1S/C20H30O6/c1-11-14(22)15(23)16-18(2,3)7-5-8-19(16,4)20(11,25)9-6-12-10-13(21)26-17(12)24/h10-11,14,16-17,22,24-25H,5-9H2,1-4H3/t11-,14-,16+,17+,19+,20-/m1/s1

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InChIKey

ORLJFXGZZYWOIF-FNAWRJISSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

ORLJFXGZZYWOIF-FNAWRJISSA-N

(Q105198031)

(2S)-3-[2-[(1R,2R,3R,4aS,8aS)-1,3-dihydroxy-2,5,5,8a-tetramethyl-4-oxo-2,3,4a,6,7,8-hexahydronaphthalen-1-yl]ethyl]-2-hydroxy-2H-furan-5-one

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