(Q104938492)

English

[(4S,4aR,5R,6S,8aR,9aS)-6-hydroxy-9a-methoxy-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

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

(6-hydroxy-9a-methoxy-3,4a,5-trimethyl-2-oxo-5,6,7,8,8a,9-hexahydro-4H-benzo[f][1]benzofuran-4-yl) 2-methylbut-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

378.20423868 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(4S,4aR,5R,6S,8aR,9aR)-6-hydroxy-9a-methoxy-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

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

[(4S,4aS,5R,6S,8aR,9aS)-6-hydroxy-9a-methoxy-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

[(4S,4aS,5R,6S,8aR,9aR)-6-hydroxy-9a-methoxy-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

chemical formula

C₂₁H₃₀O₆

0 references

canonical SMILES

O=C(OC1C2=C(C(=O)OC2(OC)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(OC)C[C@H]2CC[C@H](O)[C@H](C)[C@]12C

0 references

found in taxon

Petasites japonicus

1 reference

stated in

Eremophilane-type sesquiterpenes from fresh rhizomes of Petasites japonicus

Identifiers

InChI

InChI=1S/C21H30O6/c1-7-11(2)18(23)26-17-16-12(3)19(24)27-21(16,25-6)10-14-8-9-15(22)13(4)20(14,17)5/h7,13-15,17,22H,8-10H2,1-6H3/b11-7-/t13-,14+,15-,17+,20-,21-/m0/s1

0 references

InChIKey

BMPRGPGLZWJNOP-UJZKBSMESA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

BMPRGPGLZWJNOP-UJZKBSMESA-N

(Q104938492)

[(4S,4aR,5R,6S,8aR,9aS)-6-hydroxy-9a-methoxy-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

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