(Q105378755)

English

(1R)-1,2alpha-Dimethyl-1alpha-[2-(2-oxo-2,5-dihydrofuran-3-yl)ethyl]-4aalpha-(hydroxymethyl)-1,2,3,4,4a,7,8,8aalpha-octahydronaphthalene-5-carboxylic acid gamma-lactone

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

7,8-dimethyl-7-[2-(5-oxo-2H-furan-4-yl)ethyl]-5,6,6a,8,9,10-hexahydro-1H-benzo[d][2]benzofuran-3-one

1 reference

based on heuristic

inferred from SMILES

mass

330.183109312 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(6aR,7S,8R,10aS)-7,8-dimethyl-7-[2-(5-oxo-2H-furan-4-yl)ethyl]-5,6,6a,8,9,10-hexahydro-1H-benzo[d][2]benzofuran-3-one

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₀H₂₆O₄

0 references

canonical SMILES

O=C1OCC=C1CCC2(C)C(C)CCC34C(=CCCC32)C(=O)OC4

0 references

isomeric SMILES

C[C@@H]1CC[C@@]23COC(=O)C2=CCC[C@H]3[C@]1(C)CCC1=CCOC1=O

0 references

found in taxon

Solidago virgaurea

1 reference

stated in

Antibacterial clerodane diterpenes from Goldenrod (Solidago virgaurea).

Identifiers

InChI

InChI=1S/C20H26O4/c1-13-6-10-20-12-24-18(22)15(20)4-3-5-16(20)19(13,2)9-7-14-8-11-23-17(14)21/h4,8,13,16H,3,5-7,9-12H2,1-2H3/t13-,16+,19-,20-/m1/s1

0 references

InChIKey

ZKUWHVKICYZVFY-HCAQKZJRSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

ZKUWHVKICYZVFY-HCAQKZJRSA-N

1 reference

(Q105378755)

(1R)-1,2alpha-Dimethyl-1alpha-[2-(2-oxo-2,5-dihydrofuran-3-yl)ethyl]-4aalpha-(hydroxymethyl)-1,2,3,4,4a,7,8,8aalpha-octahydronaphthalene-5-carboxylic acid gamma-lactone

Statements

Identifiers

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