(Q105217108)

English

[(3aR,4R,6aS,9S,9aS,9bS)-6a,9-dihydroxy-9-methyl-3,6-dimethylidene-2-oxo-4,5,9a,9b-tetrahydro-3aH-azuleno[4,5-b]furan-4-yl] (Z)-4-acetyloxy-2-methylbut-2-enoate

chemical compound

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instance of

type of chemical entity

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subclass of

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

1 reference

based on heuristic

inferred from SMILES

mass

418.162767792 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(3aR,4R,6aR,9R,9aS,9bS)-6a,9-dihydroxy-9-methyl-3,6-dimethylidene-2-oxo-4,5,9a,9b-tetrahydro-3aH-azuleno[4,5-b]furan-4-yl] (Z)-4-acetyloxy-2-methylbut-2-enoate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₂H₂₆O₈

0 references

canonical SMILES

O=C(OC1CC(=C)C2(O)C=CC(O)(C)C2C3OC(=O)C(=C)C13)C(=CCOC(=O)C)C

0 references

isomeric SMILES

C=C1C(=O)O[C@@H]2[C@H]3[C@@](C)(O)C=C[C@@]3(O)C(=C)C[C@@H](OC(=O)/C(C)=C\COC(C)=O)[C@@H]12

0 references

found in taxon

Calea jamaicensis

1 reference

stated in

Jamaicolides A-D, four sesquiterpene lactones from Calea jamaicensis

Identifiers

InChI

InChI=1S/C22H26O8/c1-11(6-9-28-14(4)23)19(24)29-15-10-12(2)22(27)8-7-21(5,26)18(22)17-16(15)13(3)20(25)30-17/h6-8,15-18,26-27H,2-3,9-10H2,1,4-5H3/b11-6-/t15-,16-,17+,18+,21+,22-/m1/s1

0 references

InChIKey

PZTCNOMGZILQIK-QPIXWEKVSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

PZTCNOMGZILQIK-QPIXWEKVSA-N

(Q105217108)

[(3aR,4R,6aS,9S,9aS,9bS)-6a,9-dihydroxy-9-methyl-3,6-dimethylidene-2-oxo-4,5,9a,9b-tetrahydro-3aH-azuleno[4,5-b]furan-4-yl] (Z)-4-acetyloxy-2-methylbut-2-enoate

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