(Q105111040)

English

(1S,3aS,5R,5aR,8aR,9R,9aS)-9-hydroxy-1,5,8a-trimethyl-3a,4,5,5a,9,9a-hexahydro-1H-azuleno[6,7-b]furan-2,8-dione

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

(3S,3aS,4S,7aS,8S,9aR)-4-hydroxy-3,4a,8-trimethyl-3H,3aH,4H,7aH,8H,9H,9aH-azuleno[6,5-b]furan-2,5-dione

1 reference

based on heuristic

inferred from SMILES

mass

264.13615912 dalton

1 reference

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

(1S,3aR,5S,5aS,8aR,9S,9aS)-9-hydroxy-1,5,8a-trimethyl-3a,4,5,5a,9,9a-hexahydro-1H-azuleno[6,7-b]furan-2,8-dione

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(1R,3aS,5R,5aR,8aR,9S,9aS)-9-hydroxy-1,5,8a-trimethyl-3a,4,5,5a,9,9a-hexahydro-1H-azuleno[6,7-b]furan-2,8-dione

2 references

based on heuristic

inferred from InChIKey

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

(1R,3aS,5R,5aR,8aR,9R,9aS)-9-hydroxy-1,5,8a-trimethyl-3a,4,5,5a,9,9a-hexahydro-1H-azuleno[6,7-b]furan-2,8-dione

1 reference

based on heuristic

inferred from InChI

(1R,5R,6S,7S,8S,10R,11S)-6-hydroxy-4-oxopseudoguai-2(3)-en-12,8-olide

1 reference

based on heuristic

inferred from InChI

chemical formula

C₁₅H₂₀O₄

0 references

canonical SMILES

O=C1OC2CC(C)C3C=CC(=O)C3(C)C(O)C2C1C

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isomeric SMILES

C[C@@H]1C(=O)O[C@H]2C[C@@H](C)[C@@H]3C=CC(=O)[C@@]3(C)[C@H](O)[C@@H]21

0 references

found in taxon

Arnica acaulis

1 reference

stated in

Sesquiterpene lactones and other constituents of Arnica acaulis

Identifiers

InChI

InChI=1S/C15H20O4/c1-7-6-10-12(8(2)14(18)19-10)13(17)15(3)9(7)4-5-11(15)16/h4-5,7-10,12-13,17H,6H2,1-3H3/t7-,8+,9+,10+,12-,13-,15+/m1/s1

0 references

InChIKey

ICKWITMQEROMDG-DJTSFZEESA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

(Q105111040)

(1S,3aS,5R,5aR,8aR,9R,9aS)-9-hydroxy-1,5,8a-trimethyl-3a,4,5,5a,9,9a-hexahydro-1H-azuleno[6,7-b]furan-2,8-dione

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