(Q105166816)

English

[(1R,2S,4aS,8aR)-7-(2-hydroperoxypropan-2-yl)-1-hydroxy-1,4a-dimethyl-6-oxo-3,4,5,8a-tetrahydro-2H-naphthalen-2-yl] (2R,3S)-2,3-dihydroxy-2-methylbutanoate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

eudesmane sesquiterpenoid

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mass

400.209717984 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₀H₃₂O₈

0 references

canonical SMILES

O=C(OC1CCC2(C)CC(=O)C(=CC2C1(O)C)C(OO)(C)C)C(O)(C)C(O)C

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isomeric SMILES

C[C@H](O)[C@@](C)(O)C(=O)O[C@H]1CC[C@@]2(C)CC(=O)C(C(C)(C)OO)=C[C@H]2[C@@]1(C)O

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found in taxon

Pluchea arguta

1 reference

stated in

Odontin and Odonticin, Two New Eudesmane Sesquiterpenes from Pluchea arguta

Identifiers

InChI

InChI=1S/C20H32O8/c1-11(21)19(5,24)16(23)27-15-7-8-18(4)10-13(22)12(17(2,3)28-26)9-14(18)20(15,6)25/h9,11,14-15,21,24-26H,7-8,10H2,1-6H3/t11-,14+,15-,18-,19+,20+/m0/s1

0 references

InChIKey

MLLOCJWECGZDNQ-ZIUOMUFMSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

MLLOCJWECGZDNQ-ZIUOMUFMSA-N

(Q105166816)

[(1R,2S,4aS,8aR)-7-(2-hydroperoxypropan-2-yl)-1-hydroxy-1,4a-dimethyl-6-oxo-3,4,5,8a-tetrahydro-2H-naphthalen-2-yl] (2R,3S)-2,3-dihydroxy-2-methylbutanoate

Statements

Identifiers

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