(Q105186650)

English

(4aR)-9beta-Hydroxy-7beta-[(Z)-2-methyl-2-butenoyloxy]-3,4abeta,5beta-trimethyl-4a,5,6,7,8,8abeta,9,9abeta-octahydronaphtho[2,3-b]furan-2(4H)-one

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

(9-Hydroxy-3,4a,5-trimethyl-2-oxo-4,5,6,7,8,8a,9,9a-octahydrobenzo[f][1]benzofuran-7-yl) 2-methylbut-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

348.193673996 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₀H₂₈O₅

0 references

canonical SMILES

O=C(OC1CC(C)C2(C)CC3=C(C(=O)OC3C(O)C2C1)C)C(=CC)C

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isomeric SMILES

C/C=C(/C)C(=O)O[C@@H]1C[C@H](C)[C@@]2(C)CC3=C(C)C(=O)O[C@H]3[C@H](O)[C@H]2C1

0 references

found in taxon

Petasites hybridus

3 references

stated in

Differential and stereoselective in vitro cytotoxicity of eremophilane sesquiterpenes of Petasites hybridus rhizomes in rat hepatocytes.

stated in

New Eremophilane Sesquiterpenes from a Rhizome Extract ofPetasites hybridus

stated in

Absolute configuration of eremophilane sesquiterpenes from Petasites hybridus: comparison of experimental and calculated circular dichroism spectra.

Identifiers

InChI

InChI=1S/C20H28O5/c1-6-10(2)18(22)24-13-7-11(3)20(5)9-14-12(4)19(23)25-17(14)16(21)15(20)8-13/h6,11,13,15-17,21H,7-9H2,1-5H3/b10-6-/t11-,13+,15+,16+,17+,20+/m0/s1

0 references

InChIKey

NWKFPVBPTYBOIG-FDPDDJPKSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

NWKFPVBPTYBOIG-FDPDDJPKSA-N

1 reference

(Q105186650)

(4aR)-9beta-Hydroxy-7beta-[(Z)-2-methyl-2-butenoyloxy]-3,4abeta,5beta-trimethyl-4a,5,6,7,8,8abeta,9,9abeta-octahydronaphtho[2,3-b]furan-2(4H)-one

Statements

Identifiers

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