(Q105032907)

English

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

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

[6-ethenyl-4-hydroxy-3-methylidene-2-oxo-5-(prop-1-en-2-yl)-tetrahydro-3aH-1-benzofuran-6-yl]methyl 2-hydroxy-3-methylbutanoate

1 reference

based on heuristic

inferred from SMILES

mass

364.188588616 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

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

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₀H₂₈O₆

0 references

canonical SMILES

O=C1OC2CC(C=C)(COC(=O)C(O)C(C)C)C(C(=C)C)C(O)C2C1=C

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isomeric SMILES

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

0 references

found in taxon

Schkuhria schkuhrioides

1 reference

stated in

Schkuhridin a and schkuhridin B, C-14β,H-5α-elemanolides from schkuhria schkuhrioides

Identifiers

InChI

InChI=1S/C20H28O6/c1-7-20(9-25-19(24)16(21)11(4)5)8-13-14(12(6)18(23)26-13)17(22)15(20)10(2)3/h7,11,13-17,21-22H,1-2,6,8-9H2,3-5H3/t13-,14-,15-,16+,17-,20-/m0/s1

0 references

InChIKey

HRYXJJKCFHXWLC-SAKUIJKHSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

(Q105032907)

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

Statements

Identifiers

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