(Q105341118)

English

[(4aR,5S,6R,8aR,9aS)-5-acetyloxy-9a-hydroxy-3,5,8a-trimethyl-2-oxo-4,4a,6,7,8,9-hexahydrobenzo[f][1]benzofuran-6-yl] (2S,3R)-2,3-dimethyloxirane-2-carboxylate

chemical compound

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instance of

type of chemical entity

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subclass of

(5-Acetyloxy-9a-hydroxy-3,5,8a-trimethyl-2-oxo-4,4a,6,7,8,9-hexahydrobenzo[f][1]benzofuran-6-yl) 2,3-dimethyloxirane-2-carboxylate

1 reference

based on heuristic

inferred from SMILES

mass

422.19406792 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(4aR,5S,6S,8aR,9aS)-5-acetyloxy-9a-hydroxy-3,5,8a-trimethyl-2-oxo-4,4a,6,7,8,9-hexahydrobenzo[f][1]benzofuran-6-yl] (2S,3S)-2,3-dimethyloxirane-2-carboxylate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₂H₃₀O₈

0 references

canonical SMILES

O=C1OC2(O)C(=C1C)CC3C(OC(=O)C)(C)C(OC(=O)C4(OC4C)C)CCC3(C)C2

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isomeric SMILES

CC(=O)O[C@]1(C)[C@H](OC(=O)[C@@]2(C)O[C@@H]2C)CC[C@]2(C)C[C@]3(O)OC(=O)C(C)=C3C[C@@H]12

0 references

found in taxon

Pluchea baccharis

1 reference

stated in

Three eudesmanolides from Pluchea rosea

Pluchea rosea

1 reference

stated in

Three eudesmanolides from Pluchea rosea

Identifiers

InChI

InChI=1S/C22H30O8/c1-11-14-9-15-19(4,10-22(14,26)30-17(11)24)8-7-16(21(15,6)29-13(3)23)27-18(25)20(5)12(2)28-20/h12,15-16,26H,7-10H2,1-6H3/t12-,15-,16-,19-,20+,21+,22+/m1/s1

0 references

InChIKey

XSNMFQOTAYCACP-JWGPCJDDSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

XSNMFQOTAYCACP-JWGPCJDDSA-N

(Q105341118)

[(4aR,5S,6R,8aR,9aS)-5-acetyloxy-9a-hydroxy-3,5,8a-trimethyl-2-oxo-4,4a,6,7,8,9-hexahydrobenzo[f][1]benzofuran-6-yl] (2S,3R)-2,3-dimethyloxirane-2-carboxylate

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Identifiers

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