(Q105144076)

English

(2S,3R,3aS,7aR)-7a-hydroxy-3a-methoxy-3-methyl-5-prop-2-enyl-2-(3,4,5-trimethoxyphenyl)-3,7-dihydro-2H-1-benzofuran-6-one

chemical compound

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instance of

type of chemical entity

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subclass of

7a-hydroxy-3a-methoxy-3-methyl-5-(prop-2-en-1-yl)-2-(3,4,5-trimethoxyphenyl)-3,7-dihydro-2H-1-benzofuran-6-one

1 reference

based on heuristic

inferred from SMILES

mass

404.183503236 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₂H₂₈O₇

0 references

canonical SMILES

O=C1C(=CC2(OC)C(C)C(OC2(O)C1)C3=CC(OC)=C(OC)C(OC)=C3)CC=C

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isomeric SMILES

C=CCC1=C[C@]2(OC)[C@H](C)[C@@H](c3cc(OC)c(OC)c(OC)c3)O[C@]2(O)CC1=O

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found in taxon

Nectandra

1 reference

stated in

Neolignans from a Nectandra species

Identifiers

InChI

InChI=1S/C22H28O7/c1-7-8-14-11-21(28-6)13(2)19(29-22(21,24)12-16(14)23)15-9-17(25-3)20(27-5)18(10-15)26-4/h7,9-11,13,19,24H,1,8,12H2,2-6H3/t13-,19+,21+,22-/m1/s1

0 references

InChIKey

KOZUXOZTQZOISI-UQAXRIGDSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

KOZUXOZTQZOISI-UQAXRIGDSA-N

(Q105144076)

(2S,3R,3aS,7aR)-7a-hydroxy-3a-methoxy-3-methyl-5-prop-2-enyl-2-(3,4,5-trimethoxyphenyl)-3,7-dihydro-2H-1-benzofuran-6-one

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