(Q105211200)

English

(3aS,5aR,6R,9aS,9bR)-6-hydroxy-5a,9-dimethyl-3-methylidene-4,5,6,7,9a,9b-hexahydro-3aH-benzo[g][1]benzofuran-2-one

chemical compound

In more languages

Statements

type of chemical entity

0 references

Sesquiterpene lactone CP-1

1 reference

based on heuristic

inferred from SMILES

248.1412445 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(3aR,5aS,6S,9aR,9bR)-6-hydroxy-5a,9-dimethyl-3-methylidene-4,5,6,7,9a,9b-hexahydro-3aH-benzo[g][1]benzofuran-2-one

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(3aR,5aR,6S,9aS,9bS)-6-hydroxy-5a,9-dimethyl-3-methylidene-4,5,6,7,9a,9b-hexahydro-3aH-benzo[g][1]benzofuran-2-one

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(3aR,5aR,6R,9aS,9bS)-6-hydroxy-5a,9-dimethyl-3-methylidene-4,5,6,7,9a,9b-hexahydro-3aH-benzo[g][1]benzofuran-2-one

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(1R)-alpha-Methylene-1alpha,5beta-dihydroxy-4abeta,8-dimethyl-1,2,3,4,4a,5,6,8aalpha-octahydronaphthalene-2alpha-acetic acid 2,1-lactone

1 reference

based on heuristic

inferred from InChI

(3aS,5aS,6S,9aS,9bS)-6-hydroxy-5a,9-dimethyl-3-methylidene-4,5,6,7,9a,9b-hexahydro-3aH-benzo[g][1]benzofuran-2-one

1 reference

based on heuristic

inferred from InChI

1 reference

based on heuristic

inferred from InChI

chemical formula

C₁₅H₂₀O₃

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canonical SMILES

O=C1OC2C(C1=C)CCC3(C)C(O)CC=C(C)C23

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isomeric SMILES

C=C1C(=O)O[C@@H]2[C@H]1CC[C@]1(C)[C@@H]2C(C)=CC[C@H]1O

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Artemisia ludoviciana

1 reference

Sesquiterpene lactones of Artemisia mexicana var. Angustifolia

Artemisia mexicana

1 reference

Sesquiterpene lactones of Artemisia mexicana var. Angustifolia

Artemisia klotzschiana

1 reference

Sesquiterpene lactones of Artemisia mexicana var. Angustifolia

Identifiers

InChI=1S/C15H20O3/c1-8-4-5-11(16)15(3)7-6-10-9(2)14(17)18-13(10)12(8)15/h4,10-13,16H,2,5-7H2,1,3H3/t10-,11+,12+,13+,15-/m0/s1

0 references

PLSSEPIRACGCBO-BGPZULBFSA-N

0 references

2 references

17 September 2022

based on heuristic

inferred from InChIKey

matched by identifier from

PLSSEPIRACGCBO-BGPZULBFSA-N

UniChem compound ID

1 reference

Sitelinks

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