(Q104998681)

English

[(3aR,4R,6S,7R,7aS)-6-ethenyl-6-formyl-3-methylidene-2-oxo-7-prop-1-en-2-yl-4,5,7,7a-tetrahydro-3aH-1-benzofuran-4-yl] (2R)-2-methylbutanoate

chemical compound

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type of chemical entity

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subclass of

(6-ethenyl-6-formyl-3-methylidene-2-oxo-7-prop-1-en-2-yl-4,5,7,7a-tetrahydro-3aH-1-benzofuran-4-yl) 2-methylbutanoate

1 reference

based on heuristic

inferred from SMILES

mass

346.178023932 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₀H₂₆O₅

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canonical SMILES

O=CC1(C=C)CC(OC(=O)C(C)CC)C2C(=C)C(=O)OC2C1C(=C)C

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isomeric SMILES

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

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found in taxon

Wunderlichia mirabilis

1 reference

stated in

Neue Spirosesquiterpenlactone, Germacranolide und Eudesmanolide ausWunderlichia mirabilis

Identifiers

InChI

InChI=1S/C20H26O5/c1-7-12(5)18(22)24-14-9-20(8-2,10-21)16(11(3)4)17-15(14)13(6)19(23)25-17/h8,10,12,14-17H,2-3,6-7,9H2,1,4-5H3/t12-,14-,15-,16+,17-,20+/m1/s1

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InChIKey

FOBYLSACEYVQOU-QBEJLAKLSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

FOBYLSACEYVQOU-QBEJLAKLSA-N

(Q104998681)

[(3aR,4R,6S,7R,7aS)-6-ethenyl-6-formyl-3-methylidene-2-oxo-7-prop-1-en-2-yl-4,5,7,7a-tetrahydro-3aH-1-benzofuran-4-yl] (2R)-2-methylbutanoate

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