(Q110077277)

English

[3,6-dimethyl-2,7-dioxo-9-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3,3a,4,5,9a,9b-hexahydroazuleno[4,5-b]furan-4-yl] 2-[8-(hydroxymethyl)-3-methyl-1-oxo-4,5,6,7-tetrahydro-3aH-azulen-5-yl]prop-2-enoate

group of stereoisomers with the chemical formula C₃₆H₄₄O₁₃

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Statements

instance of

group of stereoisomers

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subclass of

guaiane sesquiterpenoid

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mass

684.278191468 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₆H₄₄O₁₃

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canonical SMILES

O=C(OC1CC(=C2C(=O)C=C(COC3OC(CO)C(O)C(O)C3O)C2C4OC(=O)C(C)C14)C)C(=C)C5CCC(=C6C(=O)C=C(C)C6C5)CO

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found in taxon

Picris

1 reference

stated in

Terpenoid glycosides from Picris hieracioides

Identifiers

InChI

InChI=1S/C36H44O13/c1-14-7-22(39)28-19(11-37)6-5-18(9-21(14)28)16(3)34(44)47-24-8-15(2)26-23(40)10-20(29(26)33-27(24)17(4)35(45)49-33)13-46-36-32(43)31(42)30(41)25(12-38)48-36/h7,10,17-18,21,24-25,27,29-33,36-38,41-43H,3,5-6,8-9,11-13H2,1-2,4H3

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InChIKey

YJFPAKIFONEVJH-UHFFFAOYSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

YJFPAKIFONEVJH-UHFFFAOYSA-N

(Q110077277)

[3,6-dimethyl-2,7-dioxo-9-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3,3a,4,5,9a,9b-hexahydroazuleno[4,5-b]furan-4-yl] 2-[8-(hydroxymethyl)-3-methyl-1-oxo-4,5,6,7-tetrahydro-3aH-azulen-5-yl]prop-2-enoate

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