(Q105215223)

English

[(Z)-5-[(1S,4aR,8aR)-2-(acetyloxymethyl)-5,5,8a-trimethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]-3-(acetyloxymethyl)pent-2-enyl] acetate

chemical compound

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instance of

type of chemical entity

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subclass of

4-(acetyloxy)-2-(2-{2-[(acetyloxy)methyl]-5,5,8a-trimethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl}ethyl)but-2-en-1-yl acetate

1 reference

based on heuristic

inferred from SMILES

mass

448.282489 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₆H₄₀O₆

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canonical SMILES

O=C(OCC=C(COC(=O)C)CCC1C(=CCC2C(C)(C)CCCC12C)COC(=O)C)C

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isomeric SMILES

CC(=O)OC/C=C(/CC[C@@H]1C(COC(C)=O)=CC[C@@H]2C(C)(C)CCC[C@@]12C)COC(C)=O

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found in taxon

Achyrocline alata

1 reference

stated in

A new labdane derivative and geranylphloroglucinols from Achyrocline alata

Baccharis intermixta

1 reference

stated in

Five diterpenes and other constituents from nine Baccharis species

Lasiolaena santosii

1 reference

stated in

New germacranolides, guaianolides and rearranged Guaianolides from Lasiolaena santosii

Identifiers

InChI

InChI=1S/C26H40O6/c1-18(27)30-15-12-21(16-31-19(2)28)8-10-23-22(17-32-20(3)29)9-11-24-25(4,5)13-7-14-26(23,24)6/h9,12,23-24H,7-8,10-11,13-17H2,1-6H3/b21-12-/t23-,24-,26+/m1/s1

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InChIKey

PUQJNULVCTWMIY-XFYBOSGCSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

PUQJNULVCTWMIY-XFYBOSGCSA-N

(Q105215223)

[(Z)-5-[(1S,4aR,8aR)-2-(acetyloxymethyl)-5,5,8a-trimethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]-3-(acetyloxymethyl)pent-2-enyl] acetate

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