(Q104392947)

English

methyl 1,6-bis[[2-[3-ethenyl-5-methoxycarbonyl-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-4-yl]acetyl]oxy]-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate

group of stereoisomers with the chemical formula C₄₅H₆₀O₂₅

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Statements

instance of

group of stereoisomers

0 references

1 reference

secoiridoid monoterpenoid

1 reference

inferred from

secoiridoid monoterpenoid

mass

1,000.34236742 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₄₅H₆₀O₂₅

0 references

canonical SMILES

O=C(OC)C1=COC(OC2OC(CO)C(O)C(O)C2O)C(C=C)C1CC(=O)OC3OC=C(C(=O)OC)C4CC(OC(=O)CC5C(=COC(OC6OC(CO)C(O)C(O)C6O)C5C=C)C(=O)OC)C(C)C34

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found in taxon

Loasa acerifolia

2 references

stated in

Iridoid glucosides—chemotaxonomic markers in Loasoideae

stated in

Iridoids from Loasa acerifolia

Loasa tricolor

1 reference

stated in

Iridoid glucosides—chemotaxonomic markers in Loasoideae

Loasa nitida

1 reference

stated in

Iridoid glucosides—chemotaxonomic markers in Loasoideae

Identifiers

InChI

InChI=1S/C45H60O25/c1-7-18-20(23(38(56)59-4)14-62-41(18)69-44-36(54)34(52)32(50)27(12-46)66-44)10-29(48)65-26-9-22-25(40(58)61-6)16-64-43(31(22)17(26)3)68-30(49)11-21-19(8-2)42(63-15-24(21)39(57)60-5)70-45-37(55)35(53)33(51)28(13-47)67-45/h7-8,14-22,26-28,31-37,41-47,50-55H,1-2,9-13H2,3-6H3

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InChIKey

LVPHTDFQVCHITK-UHFFFAOYSA-N

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2 references

15 September 2022

matched by identifier from

InChIKey

LVPHTDFQVCHITK-UHFFFAOYSA-N

(Q104392947)

methyl 1,6-bis[[2-[3-ethenyl-5-methoxycarbonyl-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-4-yl]acetyl]oxy]-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate

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Identifiers

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