(Q105155340)

English

(1S,4aS,6R,7R,7aS)-1,4a,5,6,7,7a-Hexahydro-6-[(3-hydroxybenzoyl)oxy]-1-[[2-O-[(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)-1-oxo-2-propen-1-yl]-beta-D-glucopyranosyl]oxy]-7-methylcyclopenta[c]pyran-4-carboxylic acid

group of stereoisomers with the chemical formula C₃₄H₃₈O₁₆

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instance of

group of stereoisomers

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1 reference

702.2159851360002 dalton

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based on heuristic

inferred from InChI

chemical formula

C₃₄H₃₈O₁₆

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canonical SMILES

O=C(O)C1=COC(OC2OC(CO)C(O)C(O)C2OC(=O)C=CC3=CC(OC)=C(O)C(OC)=C3)C4C1CC(OC(=O)C=5C=CC=C(O)C5)C4C

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Identifiers

InChI

InChI=1S/C34H38O16/c1-15-21(47-32(43)17-5-4-6-18(36)11-17)12-19-20(31(41)42)14-46-33(26(15)19)50-34-30(29(40)28(39)24(13-35)48-34)49-25(37)8-7-16-9-22(44-2)27(38)23(10-16)45-3/h4-11,14-15,19,21,24,26,28-30,33-36,38-40H,12-13H2,1-3H3,(H,41,42)

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InChIKey

LPSKMPVDZRGUPK-UHFFFAOYSA-N

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CAS Registry Number

100648-42-8

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stated in

CAS (formerly Chemical Abstracts Service)

25 January 2022

2 references

inferred from InChIKey

matched by identifier from

InChIKey

LPSKMPVDZRGUPK-UHFFFAOYSA-N

DSSTox substance ID

DTXSID101098322

1 reference

matched by identifier from

InChIKey

LPSKMPVDZRGUPK-UHFFFAOYSA-N

(Q105155340)

(1S,4aS,6R,7R,7aS)-1,4a,5,6,7,7a-Hexahydro-6-[(3-hydroxybenzoyl)oxy]-1-[[2-O-[(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)-1-oxo-2-propen-1-yl]-beta-D-glucopyranosyl]oxy]-7-methylcyclopenta[c]pyran-4-carboxylic acid

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