(Q105109914)

English

(12S,13S)-3,22-dimethoxy-12,13-dimethyl-5,7,18,20-tetraoxapentacyclo[13.7.0.02,10.04,8.017,21]docosa-1(22),2,4(8),9,15,17(21)-hexaen-11-ol

group of stereoisomers with the chemical formula C₂₂H₂₄O₇

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Statements

instance of

group of stereoisomers

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subclass of

chemical compound

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mass

400.152203108 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₂₂H₂₄O₇

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canonical SMILES

OC1C2=CC=3OCOC3C(OC)=C2C=4C(OC)=C5OCOC5=CC4CC(C)C1C

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isomeric SMILES

COc1c2c(cc3c1-c1c(cc4c(c1OC)OCO4)C(O)[C@@H](C)[C@@H](C)C3)OCO2

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found in taxon

Schisandra chinensis

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stated in

Studies on lignan constituents from Schisandra chinensis (Turcz.) Baill. fruits using high-performance liquid chromatography/electrospray ionization multiple-stage tandem mass spectrometry

Identifiers

InChI

InChI=1S/C22H24O7/c1-10-5-12-6-14-19(28-8-26-14)21(24-3)16(12)17-13(18(23)11(10)2)7-15-20(22(17)25-4)29-9-27-15/h6-7,10-11,18,23H,5,8-9H2,1-4H3/t10-,11-,18?/m0/s1

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InChIKey

HOPDFAWBFXSPSA-QMZNTLOPSA-N

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2 references

26 December 2021

matched by identifier from

InChIKey

HOPDFAWBFXSPSA-QMZNTLOPSA-N

1 reference

(Q105109914)

(12S,13S)-3,22-dimethoxy-12,13-dimethyl-5,7,18,20-tetraoxapentacyclo[13.7.0.02,10.04,8.017,21]docosa-1(22),2,4(8),9,15,17(21)-hexaen-11-ol

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Identifiers

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