(Q104958788)

English

(3aS,5R,5aS,6S,8R,8aS,9S,9aR)-6,8,9-trihydroxy-5,8a-dimethyl-1-methylidene-4,5,5a,6,7,8,9,9a-octahydro-3aH-azuleno[6,5-b]furan-2-one

chemical compound

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instance of

type of chemical entity

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subclass of

6,8,9-trihydroxy-5,8a-dimethyl-1-methylidene-4,5,5a,6,7,8,9,9a-octahydro-3aH-azuleno[6,5-b]furan-2-one

1 reference

based on heuristic

inferred from SMILES

(3aR,5R,6S,8R,8aS,9S,9aS)-6,8,9-trihydroxy-5,8a-dimethyl-1-methylidene-4,5,5a,6,7,8,9,9a-octahydro-3aH-azuleno[6,5-b]furan-2-one

1 reference

based on heuristic

inferred from SMILES

mass

282.146723804 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(3aS,5R,5aS,6S,8R,8aS,9R,9aS)-6,8,9-trihydroxy-5,8a-dimethyl-1-methylidene-4,5,5a,6,7,8,9,9a-octahydro-3aH-azuleno[6,5-b]furan-2-one

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

2-Deacetylchamissonolide

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₁₅H₂₂O₅

0 references

canonical SMILES

O=C1OC2CC(C)C3C(O)CC(O)C3(C)C(O)C2C1=C

0 references

isomeric SMILES

C=C1C(=O)O[C@H]2C[C@@H](C)[C@@H]3[C@@H](O)C[C@@H](O)[C@@]3(C)[C@@H](O)[C@@H]12

0 references

found in taxon

Gaillardia pulchella

1 reference

stated in

Sesquiterpene lactones from Gaillardia pulchella

Identifiers

InChI

InChI=1S/C15H22O5/c1-6-4-9-11(7(2)14(19)20-9)13(18)15(3)10(17)5-8(16)12(6)15/h6,8-13,16-18H,2,4-5H2,1,3H3/t6-,8+,9+,10-,11+,12-,13+,15-/m1/s1

0 references

InChIKey

CHHJAEIMNOFHLW-RAUKOXJHSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

CHHJAEIMNOFHLW-RAUKOXJHSA-N

(Q104958788)

(3aS,5R,5aS,6S,8R,8aS,9S,9aR)-6,8,9-trihydroxy-5,8a-dimethyl-1-methylidene-4,5,5a,6,7,8,9,9a-octahydro-3aH-azuleno[6,5-b]furan-2-one

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