(Q104935769)

English

[(3S,3aR,4S,6S,6aS,9aS,9bR)-6a-hydroxy-3,6,9a-trimethyl-2,9-dioxo-3,3a,4,5,6,9b-hexahydroazuleno[4,5-b]furan-4-yl] (2S)-2-methyloxirane-2-carboxylate

chemical compound

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Statements

type of chemical entity

0 references

(6a-Hydroxy-3,6,9a-trimethyl-2,9-dioxo-3,3a,4,5,6,9b-hexahydroazuleno[4,5-b]furan-4-yl) 2-methyloxirane-2-carboxylate

1 reference

based on heuristic

inferred from SMILES

364.152203108 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₁₉H₂₄O₇

0 references

canonical SMILES

O=C1OC2C(C(OC(=O)C3(OC3)C)CC(C)C4(O)C=CC(=O)C24C)C1C

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isomeric SMILES

C[C@@H]1C(=O)O[C@@H]2[C@H]1[C@@H](OC(=O)[C@]1(C)CO1)C[C@H](C)[C@]1(O)C=CC(=O)[C@@]21C

0 references

Parthenium hysterophorus

1 reference

Three ambrosanolides from Parthenium hysterophorus

Identifiers

InChI=1S/C19H24O7/c1-9-7-11(25-16(22)17(3)8-24-17)13-10(2)15(21)26-14(13)18(4)12(20)5-6-19(9,18)23/h5-6,9-11,13-14,23H,7-8H2,1-4H3/t9-,10-,11-,13+,14+,17-,18-,19+/m0/s1

0 references

BGWUJHGQDKSIKF-AILZWIIWSA-N

0 references

1 reference

17 September 2022

based on heuristic

inferred from InChIKey

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