(Q105270421)

English

[4-Acetyloxy-2-(acetyloxymethyl)-5-(2,5-dihydroxybenzoyl)oxy-6-[(4-ethenyl-4a-hydroxy-8-oxo-3,4,5,6-tetrahydropyrano[3,4-c]pyran-3-yl)oxy]oxan-3-yl] 2-hydroxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzoate

group of stereoisomers with the chemical formula C₄₀H₄₄O₂₃

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instance of

group of stereoisomers

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subclass of

secoiridoid monoterpenoid

1 reference

inferred from

secoiridoid monoterpenoid

mass

892.7651 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₄₀H₄₄O₂₃

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canonical SMILES

O=C1OCCC2(O)C1=COC(OC3OC(COC(=O)C)C(OC(=O)C=4C=CC=C(OC5OC(CO)C(O)C(O)C5O)C4O)C(OC(=O)C)C3OC(=O)C6=CC(O)=CC=C6O)C2C=C

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Identifiers

InChI

InChI=1S/C40H44O23/c1-4-21-37(56-14-22-36(52)54-11-10-40(21,22)53)63-39-33(62-35(51)20-12-18(44)8-9-23(20)45)32(57-17(3)43)31(26(60-39)15-55-16(2)42)61-34(50)19-6-5-7-24(27(19)46)58-38-30(49)29(48)28(47)25(13-41)59-38/h4-9,12,14,21,25-26,28-33,37-39,41,44-49,53H,1,10-11,13,15H2,2-3H3

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InChIKey

UDMJOEXVFLSODB-UHFFFAOYSA-N

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PubChem CID

163079482

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

UDMJOEXVFLSODB-UHFFFAOYSA-N

(Q105270421)

[4-Acetyloxy-2-(acetyloxymethyl)-5-(2,5-dihydroxybenzoyl)oxy-6-[(4-ethenyl-4a-hydroxy-8-oxo-3,4,5,6-tetrahydropyrano[3,4-c]pyran-3-yl)oxy]oxan-3-yl] 2-hydroxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzoate

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Identifiers

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