(Q105177488)

English

(2R,3R,4S)-4-(1,3-benzodioxol-5-yl)-4-hydroxy-6,7-dimethoxy-2,3-dimethyl-2,3-dihydronaphthalen-1-one

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

4-(2H-1,3-benzodioxol-5-yl)-4-hydroxy-6,7-dimethoxy-2,3-dimethyl-2,3-dihydronaphthalen-1-one

1 reference

based on heuristic

inferred from SMILES

mass

370.141638424 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₁H₂₂O₆

0 references

canonical SMILES

O=C1C2=CC(OC)=C(OC)C=C2C(O)(C3=CC=C4OCOC4=C3)C(C)C1C

0 references

isomeric SMILES

COc1cc2c(cc1OC)[C@@](O)(c1ccc3c(c1)OCO3)[C@H](C)[C@@H](C)C2=O

0 references

found in taxon

Virola sebifera

2 references

stated in

1,11-diarylundecan-1-one and 4-aryltetralone neolignans from Virola sebifera

stated in

1,11-diarylundecan-1-one and 4-aryltetralone neolignans from Virola sebifera

Virola elongata

2 references

stated in

Lignoids and arylalkanones from fruits of Virola elongata

stated in

Neolignans from Virola elongata

Identifiers

InChI

InChI=1S/C21H22O6/c1-11-12(2)21(23,13-5-6-16-19(7-13)27-10-26-16)15-9-18(25-4)17(24-3)8-14(15)20(11)22/h5-9,11-12,23H,10H2,1-4H3/t11-,12-,21+/m1/s1

0 references

InChIKey

NDCKQHZMIZHJRH-ZSMADZGOSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

NDCKQHZMIZHJRH-ZSMADZGOSA-N

(Q105177488)

(2R,3R,4S)-4-(1,3-benzodioxol-5-yl)-4-hydroxy-6,7-dimethoxy-2,3-dimethyl-2,3-dihydronaphthalen-1-one

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Identifiers

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