(Q104981520)

English

(4aR)-9beta,9abeta-Dihydroxy-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

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subclass of

(9,9a-dihydroxy-3,4a,5-trimethyl-2-oxo-5,6,7,8,8a,9-hexahydro-4H-benzo[f][1]benzofuran-7-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

chemical formula

C₂₀H₂₈O₆

0 references

canonical SMILES

O=C(OC1CC(C)C2(C)CC3=C(C(=O)OC3(O)C(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@@]3(O)[C@H](O)[C@H]2C1

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found in taxon

Petasites hybridus

1 reference

stated in

New Eremophilane Sesquiterpenes from a Rhizome Extract ofPetasites hybridus

Identifiers

InChI

InChI=1S/C20H28O6/c1-6-10(2)17(22)25-13-7-11(3)19(5)9-15-12(4)18(23)26-20(15,24)16(21)14(19)8-13/h6,11,13-14,16,21,24H,7-9H2,1-5H3/b10-6-/t11-,13+,14+,16+,19+,20+/m0/s1

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InChIKey

DINUARVDSHDVLN-YWSULJPHSA-N

0 references

2 references

26 December 2021

matched by identifier from

InChIKey

DINUARVDSHDVLN-YWSULJPHSA-N

1 reference

(Q104981520)

(4aR)-9beta,9abeta-Dihydroxy-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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