(Q105025036)

English

[(1R,2S,3R,4aR,5R,8aR)-5-[2-(furan-3-yl)-2-oxoethyl]-3-hydroxy-1-(hydroxymethyl)-4a-methyl-6-methylidene-1,2,3,4,5,7,8,8a-octahydronaphthalen-2-yl] acetate

chemical compound

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type of chemical entity

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subclass of

[5-[2-(Furan-3-yl)-2-oxoethyl]-3-hydroxy-1-(hydroxymethyl)-4a-methyl-6-methylidene-1,2,3,4,5,7,8,8a-octahydronaphthalen-2-yl] acetate

1 reference

based on heuristic

inferred from SMILES

mass

376.188588616 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₁H₂₈O₆

0 references

canonical SMILES

O=C(OC1C(O)CC2(C)C(C(=C)CCC2C1CO)CC(=O)C3=COC=C3)C

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isomeric SMILES

C=C1CC[C@@H]2[C@H](CO)[C@H](OC(C)=O)[C@H](O)C[C@@]2(C)[C@@H]1CC(=O)c1ccoc1

0 references

found in taxon

Austroeupatorium inulifolium

1 reference

stated in

Nine New Norlabdane Diterpenoids from the Leaves of Austroeupatorium inulifolium

Identifiers

InChI

InChI=1S/C21H28O6/c1-12-4-5-16-15(10-22)20(27-13(2)23)19(25)9-21(16,3)17(12)8-18(24)14-6-7-26-11-14/h6-7,11,15-17,19-20,22,25H,1,4-5,8-10H2,2-3H3/t15-,16+,17+,19+,20-,21+/m0/s1

0 references

InChIKey

HASMLVTVIYIQNF-QWLXMNPYSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

HASMLVTVIYIQNF-QWLXMNPYSA-N

(Q105025036)

[(1R,2S,3R,4aR,5R,8aR)-5-[2-(furan-3-yl)-2-oxoethyl]-3-hydroxy-1-(hydroxymethyl)-4a-methyl-6-methylidene-1,2,3,4,5,7,8,8a-octahydronaphthalen-2-yl] acetate

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