(Q105351462)

English

6beta-Angeloyloxy-3beta,8beta-dihydroxyeremophil-7(11)-en-12,8alpha-olide

chemical compound

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instance of

type of chemical entity

0 references

subclass of

6,9a-dihydroxy-3,4a,5-trimethyl-2-oxo-4H,5H,6H,7H,8H,8aH,9H-naphtho[2,3-b]furan-4-yl 2-methylbut-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

364.188588616 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(4R,4aS,5R,6S,8aR,9aR)-6,9a-dihydroxy-3,4a,5-trimethyl-2-oxo-5,6,7,8,8a,9-hexahydro-4H-benzo[f][1]benzofuran-4-yl] (E)-2-methylbut-2-enoate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

[(4S,4aS,5R,6S,8aR,9aR)-6,9a-dihydroxy-3,4a,5-trimethyl-2-oxo-5,6,7,8,8a,9-hexahydro-4H-benzo[f][1]benzofuran-4-yl] (Z)-2-methylbut-2-enoate

1 reference

based on heuristic

inferred from InChI

2-Butenoic acid, 2-methyl-, (4S,4aS,5R,6S,8aR,9aS)-2,4,4a,5,6,7,8,8a,9,9a-decahydro-6,9a-dihydroxy-3,4a,5-trimethyl-2-oxonaphtho[2,3-b]furan-4-yl ester, (2E)-

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₀H₂₈O₆

0 references

canonical SMILES

O=C(OC1C2=C(C(=O)OC2(O)CC3CCC(O)C(C)C13C)C)C(=CC)C

0 references

isomeric SMILES

C/C=C(/C)C(=O)O[C@@H]1C2=C(C)C(=O)O[C@@]2(O)C[C@H]2CC[C@H](O)[C@H](C)[C@@]12C

0 references

found in taxon

Petasites japonicus

1 reference

stated in

Eremophilenolides from petasites japonicus

Identifiers

InChI

InChI=1S/C20H28O6/c1-6-10(2)17(22)25-16-15-11(3)18(23)26-20(15,24)9-13-7-8-14(21)12(4)19(13,16)5/h6,12-14,16,21,24H,7-9H2,1-5H3/b10-6-/t12-,13+,14-,16+,19+,20-/m0/s1

0 references

InChIKey

YOQIGAVHLYFIAF-GBKWMQNZSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

YOQIGAVHLYFIAF-GBKWMQNZSA-N

1 reference

(Q105351462)

6beta-Angeloyloxy-3beta,8beta-dihydroxyeremophil-7(11)-en-12,8alpha-olide

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Identifiers

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