(Q105264635)

English

[(3aS,6S,8S,9aR,9bR)-6,9a-dimethyl-3-methylidene-2,9-dioxo-3a,4,5,6,8,9b-hexahydroazuleno[4,5-b]furan-8-yl] acetate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

6,9a-dimethyl-3-methylidene-2,9-dioxo-3aH,4H,5H,6H,8H,9bH-azuleno[4,5-b]furan-8-yl acetate

1 reference

based on heuristic

inferred from SMILES

mass

304.13107374 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(3aS)-3-Methylene-6alpha,9aalpha-dimethyl-8beta-acetoxy-2,3,3abeta,4,5,6,8,9,9a,9bbeta-decahydroazuleno[4,5-b]furan-2,9-dione

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₁₇H₂₀O₅

0 references

canonical SMILES

O=C1OC2C(C1=C)CCC(C3=CC(OC(=O)C)C(=O)C32C)C

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isomeric SMILES

C=C1C(=O)O[C@@H]2[C@H]1CC[C@H](C)C1=C[C@H](OC(C)=O)C(=O)[C@]12C

0 references

found in taxon

Parthenium hysterophorus

2 references

stated in

Two New Pseudoguaianolides from the Flowers ofParthenium hysterophorus

stated in

Acetylated pseudoguaianolides from Parthenium hysterophorus and their cytotoxic activity

Identifiers

InChI

InChI=1S/C17H20O5/c1-8-5-6-11-9(2)16(20)22-15(11)17(4)12(8)7-13(14(17)19)21-10(3)18/h7-8,11,13,15H,2,5-6H2,1,3-4H3/t8-,11-,13-,15+,17-/m0/s1

0 references

InChIKey

TUACAXKRNFXGPK-MVVISRNPSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

TUACAXKRNFXGPK-MVVISRNPSA-N

1 reference

(Q105264635)

[(3aS,6S,8S,9aR,9bR)-6,9a-dimethyl-3-methylidene-2,9-dioxo-3a,4,5,6,8,9b-hexahydroazuleno[4,5-b]furan-8-yl] acetate

Statements

Identifiers

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