(Q105195236)

English

methyl (1S,4aS,5R,7S,7aS)-1-[(2S,3R,4S,5S,6R)-6-(benzoyloxymethyl)-3,4,5-trihydroxyoxan-2-yl]oxy-5,7-dihydroxy-7-methyl-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carboxylate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

methyl 1-[6-(benzoyloxymethyl)-3,4,5-trihydroxyoxan-2-yl]oxy-5,7-dihydroxy-7-methyl-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carboxylate

1 reference

based on heuristic

inferred from SMILES

mass

510.1737264 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₄H₃₀O₁₂

0 references

canonical SMILES

O=C(OC)C1=COC(OC2OC(COC(=O)C=3C=CC=CC3)C(O)C(O)C2O)C4C1C(O)CC4(O)C

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isomeric SMILES

COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](COC(=O)c3ccccc3)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2[C@@H]1[C@H](O)C[C@]2(C)O

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found in taxon

Rhinanthus minor

1 reference

stated in

6′-O-benzoylshanzhiside methyl ester from Rhinanthus angustifolius subsp. Grandiflorus

Rhinanthus major

1 reference

stated in

6′-O-benzoylshanzhiside methyl ester from Rhinanthus angustifolius subsp. Grandiflorus

Rhinanthus angustifolius

1 reference

stated in

6′-O-benzoylshanzhiside methyl ester from Rhinanthus angustifolius subsp. Grandiflorus

Identifiers

InChI

InChI=1S/C24H30O12/c1-24(31)8-13(25)15-12(21(30)32-2)9-34-22(16(15)24)36-23-19(28)18(27)17(26)14(35-23)10-33-20(29)11-6-4-3-5-7-11/h3-7,9,13-19,22-23,25-28,31H,8,10H2,1-2H3/t13-,14-,15+,16-,17-,18+,19-,22+,23+,24+/m1/s1

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InChIKey

ONZHSAPTMOLEHV-VEUXGDTNSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

ONZHSAPTMOLEHV-VEUXGDTNSA-N

(Q105195236)

methyl (1S,4aS,5R,7S,7aS)-1-[(2S,3R,4S,5S,6R)-6-(benzoyloxymethyl)-3,4,5-trihydroxyoxan-2-yl]oxy-5,7-dihydroxy-7-methyl-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carboxylate

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