(Q105275780)

English

[(3aR,4S,9aR,9bR)-9-(hydroxymethyl)-6-methyl-3-methylidene-2,7-dioxo-4,5,9a,9b-tetrahydro-3aH-azuleno[4,5-b]furan-4-yl] 2-(4-hydroxyphenyl)acetate

chemical compound

In more languages

Statements

type of chemical entity

0 references

[9-(hydroxymethyl)-6-methyl-3-methylidene-2,7-dioxo-4,5,9a,9b-tetrahydro-3aH-azuleno[4,5-b]furan-4-yl] 2-(4-hydroxyphenyl)acetate

1 reference

based on heuristic

inferred from SMILES

410.136553044 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

[(3aS,4S,9aS,9bR)-9-(hydroxymethyl)-6-methyl-3-methylidene-2,7-dioxo-4,5,9a,9b-tetrahydro-3aH-azuleno[4,5-b]furan-4-yl] 2-(4-hydroxyphenyl)acetate

1 reference

based on heuristic

inferred from InChI

[(3aS,4S,9aS,9bS)-9-(hydroxymethyl)-6-methyl-3-methylidene-2,7-dioxo-4,5,9a,9b-tetrahydro-3aH-azuleno[4,5-b]furan-4-yl] 2-(4-hydroxyphenyl)acetate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₃H₂₂O₇

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canonical SMILES

O=C1OC2C3C(C(=O)C=C3CO)=C(C)CC(OC(=O)CC4=CC=C(O)C=C4)C2C1=C

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isomeric SMILES

C=C1C(=O)O[C@@H]2[C@@H]3C(CO)=CC(=O)C3=C(C)C[C@H](OC(=O)Cc3ccc(O)cc3)[C@@H]12

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Cichorium endivia

2 references

Sesquiterpenes from the roots of Cichorium endivia

Two New Sesquiterpene Lactones and a Triterpene Glycoside fromCichorium glandulosum

Cichorium glandulosum

1 reference

Two New Sesquiterpene Lactones and a Triterpene Glycoside fromCichorium glandulosum

Cichorium pumilum

1 reference

Two New Sesquiterpene Lactones and a Triterpene Glycoside fromCichorium glandulosum

Identifiers

InChI=1S/C23H22O7/c1-11-7-17(29-18(27)8-13-3-5-15(25)6-4-13)20-12(2)23(28)30-22(20)21-14(10-24)9-16(26)19(11)21/h3-6,9,17,20-22,24-25H,2,7-8,10H2,1H3/t17-,20+,21+,22-/m0/s1

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UMVSOHBRAQTGQI-UPZYVNNASA-N

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1 reference

17 September 2022

based on heuristic

inferred from InChIKey

UniChem compound ID

1 reference

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