(Q104966020)

English

[(3aR,4S,6aR,8S,9aR,9bR)-8-hydroxy-6-methyl-3,9-dimethylidene-2-oxo-4,6a,7,8,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan-4-yl] (Z)-4-acetyloxy-2-methylbut-2-enoate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

(8-hydroxy-6-methyl-3,9-dimethylidene-2-oxo-4,6a,7,8,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan-4-yl) 4-acetyloxy-2-methylbut-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

402.167853172 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₂H₂₆O₇

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canonical SMILES

O=C(OC1C=C(C)C2CC(O)C(=C)C2C3OC(=O)C(=C)C13)C(=CCOC(=O)C)C

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isomeric SMILES

C=C1C(=O)O[C@H]2[C@H]1[C@@H](OC(=O)/C(C)=C\COC(C)=O)C=C(C)[C@@H]1C[C@H](O)C(=C)[C@@H]12

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found in taxon

Gutenbergia cordifolia var. marginata

1 reference

stated in

Further guaianolides and 5-alkylcoumarins from gutenbergia and bothriocline species

Identifiers

InChI

InChI=1S/C22H26O7/c1-10(6-7-27-14(5)23)21(25)28-17-8-11(2)15-9-16(24)12(3)18(15)20-19(17)13(4)22(26)29-20/h6,8,15-20,24H,3-4,7,9H2,1-2,5H3/b10-6-/t15-,16-,17-,18-,19+,20+/m0/s1

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InChIKey

CNNITXXVNGOHOA-HBNMZAAGSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

CNNITXXVNGOHOA-HBNMZAAGSA-N

(Q104966020)

[(3aR,4S,6aR,8S,9aR,9bR)-8-hydroxy-6-methyl-3,9-dimethylidene-2-oxo-4,6a,7,8,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan-4-yl] (Z)-4-acetyloxy-2-methylbut-2-enoate

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