(Q104993900)

English

4,4aalpha,5,6-Tetrahydro-5beta-ethenyl-6alpha-[3-O,6-O-diacetyl-2-O-(2,3-dihydroxybenzoyl)-4-O-[2-hydroxy-3-(beta-D-glucopyranosyloxy)benzoyl]-beta-D-glucopyranosyloxy]-1H,3H-pyrano[3,4-c]pyran-1-one

chemical compound

In more languages

Statements

type of chemical entity

0 references

[4-acetyloxy-6-(acetyloxymethyl)-2-[(4-ethenyl-8-oxo-4,4a,5,6-tetrahydro-3H-pyrano[3,4-c]pyran-3-yl)oxy]-5-[2-hydroxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzoyl]oxyoxan-3-yl] 2,3-dihydroxybenzoate

1 reference

based on heuristic

inferred from SMILES

[4-acetyloxy-6-(acetyloxymethyl)-2-[[(4R,4aS)-4-ethenyl-8-oxo-4,4a,5,6-tetrahydro-3H-pyrano[3,4-c]pyran-3-yl]oxy]-5-[2-hydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzoyl]oxyoxan-3-yl] 2,3-dihydroxybenzoate

1 reference

based on heuristic

inferred from SMILES

876.232423048 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

FEBKVXNFFBMVHS-RUPIRAPASA-N

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₄₀H₄₄O₂₂

0 references

canonical SMILES

O=C1OCCC2C1=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)C=6C=CC=C(O)C6O)C2C=C

0 references

isomeric SMILES

C=C[C@H]1[C@H](O[C@@H]2O[C@H](COC(C)=O)[C@@H](OC(=O)c3cccc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c3O)[C@H](OC(C)=O)[C@H]2OC(=O)c2cccc(O)c2O)OC=C2C(=O)OCC[C@H]21

0 references

Gentiana tibetica

1 reference

Secoiridoid glycosides and an antifungal anthranilate derivative from Gentiana tibetica

Identifiers

InChI=1S/C40H44O22/c1-4-18-19-11-12-53-35(50)22(19)14-55-38(18)62-40-34(61-36(51)20-7-5-9-23(44)27(20)45)33(56-17(3)43)32(26(59-40)15-54-16(2)42)60-37(52)21-8-6-10-24(28(21)46)57-39-31(49)30(48)29(47)25(13-41)58-39/h4-10,14,18-19,25-26,29-34,38-41,44-49H,1,11-13,15H2,2-3H3/t18-,19+,25-,26-,29-,30+,31-,32-,33+,34-,38+,39-,40+/m1/s1

0 references

FEBKVXNFFBMVHS-LPYFKADASA-N

0 references

2 references

15 September 2022

matched by identifier from

FEBKVXNFFBMVHS-LPYFKADASA-N

UniChem compound ID

1 reference

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