(Q105119935)

English

dimethyl (1S,4aS,5S,8aS)-5-[2-[(2S)-2-hydroxy-5-oxo-2H-furan-4-yl]ethyl]-1-methyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1,4a-dicarboxylate

chemical compound

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type of chemical entity

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subclass of

dimethyl 5-[2-(2-hydroxy-5-oxo-2H-furan-4-yl)ethyl]-1-methyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1,4a-dicarboxylate

1 reference

based on heuristic

inferred from SMILES

mass

406.1991533 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₂H₃₀O₇

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canonical SMILES

O=C1OC(O)C=C1CCC2C(=C)CCC3C(C(=O)OC)(C)CCCC23C(=O)OC

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isomeric SMILES

C=C1CC[C@H]2[C@@](C)(C(=O)OC)CCC[C@]2(C(=O)OC)[C@H]1CCC1=C[C@@H](O)OC1=O

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found in taxon

Sciadopitys verticillata

1 reference

stated in

Diterpenes from the seed of Sciadopitys verticillata

Identifiers

InChI

InChI=1S/C22H30O7/c1-13-6-9-16-21(2,19(25)27-3)10-5-11-22(16,20(26)28-4)15(13)8-7-14-12-17(23)29-18(14)24/h12,15-17,23H,1,5-11H2,2-4H3/t15-,16-,17-,21-,22-/m0/s1

0 references

InChIKey

ITAHZIHVJCUBKP-HSDNQCAASA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

ITAHZIHVJCUBKP-HSDNQCAASA-N

(Q105119935)

dimethyl (1S,4aS,5S,8aS)-5-[2-[(2S)-2-hydroxy-5-oxo-2H-furan-4-yl]ethyl]-1-methyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1,4a-dicarboxylate

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Identifiers

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