(Q105023015)

English

[(1S,7R,7aS)-7-(ethoxymethyl)-7-hydroxy-1-(3-methylbutanoyloxy)-6-oxo-1,7a-dihydrocyclopenta[c]pyran-4-yl]methyl 3-methylbutanoate

chemical compound

In more languages

Statements

type of chemical entity

0 references

[7-(Ethoxymethyl)-7-hydroxy-1-(3-methylbutanoyloxy)-6-oxo-1,7a-dihydrocyclopenta[c]pyran-4-yl]methyl 3-methylbutanoate

1 reference

based on heuristic

inferred from SMILES

424.209717984 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₂H₃₂O₈

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canonical SMILES

O=C(OCC1=COC(OC(=O)CC(C)C)C2C1=CC(=O)C2(O)COCC)CC(C)C

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isomeric SMILES

CCOC[C@@]1(O)C(=O)C=C2C(COC(=O)CC(C)C)=CO[C@@H](OC(=O)CC(C)C)[C@@H]21

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Patrinia rupestris

1 reference

Chemical Constituents from the Roots ofPatrinia Rupestris

Identifiers

InChI=1S/C22H32O8/c1-6-27-12-22(26)17(23)9-16-15(10-28-18(24)7-13(2)3)11-29-21(20(16)22)30-19(25)8-14(4)5/h9,11,13-14,20-21,26H,6-8,10,12H2,1-5H3/t20-,21+,22-/m1/s1

0 references

GXDIBKDQQDPOBI-BHIFYINESA-N

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1 reference

17 September 2022

based on heuristic

inferred from InChIKey

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