(Q105211211)

English

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

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

Sesquiterpene lactone CP-1

1 reference

based on heuristic

inferred from SMILES

mass

248.1412445 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(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

1 reference

1 reference

(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

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

(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

1 reference

based on heuristic

inferred from InChI

(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

1 reference

1 reference

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](O)CC=C(C)[C@@H]21

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found in taxon

Geigeria rigida

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stated in

Sesquiterpene lactones and other terpenes from Geigeria species

Cylindrolobus mucronatus

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stated in

Sesquiterpene lactones and other terpenes from Geigeria species

Identifiers

InChI

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

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InChIKey

PLSSEPIRACGCBO-XOBFJNJYSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

PLSSEPIRACGCBO-XOBFJNJYSA-N

1 reference

(Q105211211)

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

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Identifiers

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