(Q104919862)

English

(4aS,7R,8R,8aS)-8-[2-(furan-3-yl)ethyl]-4,7,8-trimethyl-1,2,5,6,7,8a-hexahydronaphthalene-4a-carboxylic acid

chemical compound

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instance of

type of chemical entity

0 references

subclass of

1-[2-(3-Furanyl)ethyl]-1,2,5-trimethyl-1,2,3,4,4a,7,8,8a-octahydronaphthalene-4a-carboxylic acid

1 reference

based on heuristic

inferred from SMILES

mass

316.203844756 dalton

1 reference

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

(8alpha,9S,10beta)-15,16-Epoxycleroda-3,13(16),14-trien-18-oic acid

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(4aS,7S,8S,8aR)-8-[2-(furan-3-yl)ethyl]-4,7,8-trimethyl-1,2,5,6,7,8a-hexahydronaphthalene-4a-carboxylic acid

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₀H₂₈O₃

0 references

canonical SMILES

O=C(O)C12C(=CCCC1C(C)(CCC3=COC=C3)C(C)CC2)C

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isomeric SMILES

CC1=CCC[C@@H]2[C@@]1(C(=O)O)CC[C@@H](C)[C@@]2(C)CCc1ccoc1

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found in taxon

Solidago gigantea

1 reference

stated in

Constituents of Solidago Species. Part IV. Solidagoic Acids A and B, Diterpenoids from Solidago gigantea var. serotina

Solidago virgaurea

1 reference

stated in

Antibacterial clerodane diterpenes from Goldenrod (Solidago virgaurea).

Identifiers

InChI

InChI=1S/C20H28O3/c1-14-7-11-20(18(21)22)15(2)5-4-6-17(20)19(14,3)10-8-16-9-12-23-13-16/h5,9,12-14,17H,4,6-8,10-11H2,1-3H3,(H,21,22)/t14-,17+,19-,20-/m1/s1

0 references

InChIKey

AVVOXUZRTCRDLA-IXMYUCAJSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

AVVOXUZRTCRDLA-IXMYUCAJSA-N

(Q104919862)

(4aS,7R,8R,8aS)-8-[2-(furan-3-yl)ethyl]-4,7,8-trimethyl-1,2,5,6,7,8a-hexahydronaphthalene-4a-carboxylic acid

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Identifiers

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