(Q105171829)

English

[(1S,5R,6S,7R,8S)-3-hydroxy-5-methoxy-6-(7-methoxy-1,3-benzodioxol-5-yl)-7-methyl-4-oxo-1-prop-2-enyl-8-bicyclo[3.2.1]oct-2-enyl] acetate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

[3-Hydroxy-5-methoxy-6-(7-methoxy-1,3-benzodioxol-5-yl)-7-methyl-4-oxo-1-prop-2-enyl-8-bicyclo[3.2.1]oct-2-enyl] acetate

1 reference

based on heuristic

inferred from SMILES

mass

430.162767792 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₃H₂₆O₈

0 references

canonical SMILES

O=C(OC1C2(OC)C(=O)C(O)=CC1(CC=C)C(C)C2C3=CC(OC)=C4OCOC4=C3)C

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isomeric SMILES

C=CC[C@@]12C=C(O)C(=O)[C@@](OC)([C@H](c3cc(OC)c4c(c3)OCO4)[C@H]1C)[C@H]2OC(C)=O

0 references

found in taxon

Licaria brasiliensis

1 reference

stated in

Bicyclo[3.2.1]Octanoid neolignans from Licaria brasiliensis

Identifiers

InChI

InChI=1S/C23H26O8/c1-6-7-22-10-15(25)20(26)23(28-5,21(22)31-13(3)24)18(12(22)2)14-8-16(27-4)19-17(9-14)29-11-30-19/h6,8-10,12,18,21,25H,1,7,11H2,2-5H3/t12-,18+,21+,22-,23+/m1/s1

0 references

InChIKey

MTRLRURSOVNODP-HKRHPFQXSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

MTRLRURSOVNODP-HKRHPFQXSA-N

(Q105171829)

[(1S,5R,6S,7R,8S)-3-hydroxy-5-methoxy-6-(7-methoxy-1,3-benzodioxol-5-yl)-7-methyl-4-oxo-1-prop-2-enyl-8-bicyclo[3.2.1]oct-2-enyl] acetate

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Identifiers

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