(Q105212850)

English

[(1R,2R,4aR,8aR)-1-acetyloxy-7-(2-hydroxypropan-2-yl)-1,4a-dimethyl-6-oxo-3,4,5,8a-tetrahydro-2H-naphthalen-2-yl] (2S,3S)-2,3-dimethyloxirane-2-carboxylate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

1-(acetyloxy)-7-(2-hydroxypropan-2-yl)-1,4a-dimethyl-6-oxo-3,4,5,8a-tetrahydro-2H-naphthalen-2-yl 2,3-dimethyloxirane-2-carboxylate

1 reference

based on heuristic

inferred from SMILES

mass

408.214803364 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(1S,2S,4aR,8aR)-1-acetyloxy-7-(2-hydroxypropan-2-yl)-1,4a-dimethyl-6-oxo-3,4,5,8a-tetrahydro-2H-naphthalen-2-yl] (2S,3S)-2,3-dimethyloxirane-2-carboxylate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₂H₃₂O₇

0 references

canonical SMILES

O=C(OC1(C)C(OC(=O)C2(OC2C)C)CCC3(C)CC(=O)C(=CC13)C(O)(C)C)C

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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)CC(=O)C(C(C)(C)O)=C[C@H]21

0 references

found in taxon

Pluchea arguta

1 reference

stated in

Arguticinin, a sesquiterpene from Pluchea arguta

Identifiers

InChI

InChI=1S/C22H32O7/c1-12-21(6,28-12)18(25)27-17-8-9-20(5)11-15(24)14(19(3,4)26)10-16(20)22(17,7)29-13(2)23/h10,12,16-17,26H,8-9,11H2,1-7H3/t12-,16+,17+,20+,21-,22+/m0/s1

0 references

InChIKey

PPEMTMOKMZIGKS-IXNDKLMBSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

PPEMTMOKMZIGKS-IXNDKLMBSA-N

(Q105212850)

[(1R,2R,4aR,8aR)-1-acetyloxy-7-(2-hydroxypropan-2-yl)-1,4a-dimethyl-6-oxo-3,4,5,8a-tetrahydro-2H-naphthalen-2-yl] (2S,3S)-2,3-dimethyloxirane-2-carboxylate

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Identifiers

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