(Q105157449)

English

methyl (1S,4aR,7aR)-4a-hydroxy-7-[(4-hydroxybenzoyl)oxymethyl]-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,7a-dihydro-1H-cyclopenta[c]pyran-4-carboxylate

chemical compound

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instance of

type of chemical entity

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subclass of

methyl 4a-hydroxy-7-[(4-hydroxybenzoyl)oxymethyl]-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,7a-dihydro-1H-cyclopenta[c]pyran-4-carboxylate

1 reference

based on heuristic

inferred from SMILES

mass

524.152990956 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₄H₂₈O₁₃

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canonical SMILES

O=C(OC)C1=COC(OC2OC(CO)C(O)C(O)C2O)C3C(=CCC13O)COC(=O)C4=CC=C(O)C=C4

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isomeric SMILES

COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2C(COC(=O)c3ccc(O)cc3)=CC[C@]12O

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found in taxon

Amphilophium crucigerum

1 reference

stated in

Iridoid glycosides from the stems of Pithecoctenium crucigerum (Bignoniaceae).

Identifiers

InChI

InChI=1S/C24H28O13/c1-33-21(31)14-10-35-22(37-23-19(29)18(28)17(27)15(8-25)36-23)16-12(6-7-24(14,16)32)9-34-20(30)11-2-4-13(26)5-3-11/h2-6,10,15-19,22-23,25-29,32H,7-9H2,1H3/t15-,16+,17-,18+,19-,22+,23+,24+/m1/s1

0 references

InChIKey

LUHYEBOZNVRIDY-UOADZIBUSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

LUHYEBOZNVRIDY-UOADZIBUSA-N

(Q105157449)

methyl (1S,4aR,7aR)-4a-hydroxy-7-[(4-hydroxybenzoyl)oxymethyl]-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,7a-dihydro-1H-cyclopenta[c]pyran-4-carboxylate

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