(Q105212255)

English

(3S)-4-[6-[6-(hydroxymethyl)-2,3,4-trimethoxy-phenyl]-7-methoxy-1,3-benzodioxol-5-yl]-3-methyl-butan-2-one

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

chemical compound

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mass

432.178417856 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₃H₂₈O₈

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canonical SMILES

O=C(C)C(C)CC1=CC=2OCOC2C(OC)=C1C=3C(OC)=C(OC)C(OC)=CC3CO

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isomeric SMILES

COc1cc(CO)c(-c2c(C[C@H](C)C(C)=O)cc3c(c2OC)OCO3)c(OC)c1OC

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found in taxon

Schisandra neglecta

1 reference

stated in

Bioactive dibenzocyclooctadiene lignans from the stems of Schisandra neglecta

Identifiers

InChI

InChI=1S/C23H28O8/c1-12(13(2)25)7-14-8-17-21(31-11-30-17)23(29-6)18(14)19-15(10-24)9-16(26-3)20(27-4)22(19)28-5/h8-9,12,24H,7,10-11H2,1-6H3/t12-/m0/s1

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InChIKey

PNXAJTMQLCCLIC-LBPRGKRZSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

PNXAJTMQLCCLIC-LBPRGKRZSA-N

1 reference

(Q105212255)

(3S)-4-[6-[6-(hydroxymethyl)-2,3,4-trimethoxy-phenyl]-7-methoxy-1,3-benzodioxol-5-yl]-3-methyl-butan-2-one

Statements

Identifiers

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