(Q105172674)

English

(3S,3aS,5R,6aR,9S,9aR,9bS)-5-hydroxy-3,9-dimethyl-6-methylidene-3a,4,5,6a,7,9,9a,9b-octahydro-3H-azuleno[4,5-b]furan-2,8-dione

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

guaiane sesquiterpenoid

0 references

mass

264.13615912 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(3R,3aS,5S,6aR,9S,9aR,9bS)-5-hydroxy-3,9-dimethyl-6-methylidene-3a,4,5,6a,7,9,9a,9b-octahydro-3H-azuleno[4,5-b]furan-2,8-dione

1 reference

1 reference

(3R,3aR,5S,6aS,9R,9aS,9bR)-5-hydroxy-3,9-dimethyl-6-methylidene-3a,4,5,6a,7,9,9a,9b-octahydro-3H-azuleno[4,5-b]furan-2,8-dione

1 reference

based on heuristic

inferred from InChI

chemical formula

C₁₅H₂₀O₄

0 references

canonical SMILES

O=C1OC2C(CC(O)C(=C)C3CC(=O)C(C)C23)C1C

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isomeric SMILES

C=C1[C@H](O)C[C@H]2[C@H](C)C(=O)O[C@@H]2[C@H]2[C@H](C)C(=O)C[C@@H]12

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found in taxon

Crepis mollis

1 reference

stated in

Sesquiterpenoids and phenolics from Crepis mollis

Identifiers

InChI

InChI=1S/C15H20O4/c1-6-9-4-12(17)8(3)13(9)14-10(5-11(6)16)7(2)15(18)19-14/h7-11,13-14,16H,1,4-5H2,2-3H3/t7-,8+,9-,10-,11+,13-,14-/m0/s1

0 references

InChIKey

MUROMQNYCWNWFJ-NNDJVZAJSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

MUROMQNYCWNWFJ-NNDJVZAJSA-N

(Q105172674)

(3S,3aS,5R,6aR,9S,9aR,9bS)-5-hydroxy-3,9-dimethyl-6-methylidene-3a,4,5,6a,7,9,9a,9b-octahydro-3H-azuleno[4,5-b]furan-2,8-dione

Statements

Identifiers

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