(Q105171735)

English

(3aR,4aS,5S,5aR,6aR)-5-[(3S)-3-hydroxybutyl]-5a-methyl-3-methylidene-3a,4,4a,5,6,6a-hexahydrocyclopropa[f][1]benzofuran-2-one

chemical compound

In more languages

Statements

type of chemical entity

0 references

(3aS,4aR,5R,5aS,6aS)-5-(3-hydroxybutyl)-5a-methyl-3-methylidene-3a,4,4a,5,6,6a-hexahydrocyclopropa[f][1]benzofuran-2-one

1 reference

based on heuristic

inferred from SMILES

1 reference

based on heuristic

inferred from SMILES

250.156894564 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(3aR,4aS,5S,5aS,6aR)-5-[(3S)-3-hydroxybutyl]-5a-methyl-3-methylidene-3a,4,4a,5,6,6a-hexahydrocyclopropa[f][1]benzofuran-2-one

1 reference

based on heuristic

inferred from InChI

(3aR,4aS,5S,5aR,6aR)-5-[(3R)-3-hydroxybutyl]-5a-methyl-3-methylidene-3a,4,4a,5,6,6a-hexahydrocyclopropa[f][1]benzofuran-2-one

1 reference

based on heuristic

inferred from InChI

chemical formula

C₁₅H₂₂O₃

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canonical SMILES

O=C1OC2CC3(C)C(CCC(O)C)C3CC2C1=C

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isomeric SMILES

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

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Carpesium abrotanoides

1 reference

Sesquiterpene lactones from Carpesium abrotanoides

Carpesium faberi

1 reference

Antiproliferative and apoptotic sesquiterpene lactones from Carpesium faberi

Carpesium macrocephalum

1 reference

Sesquiterpene Lactones and other Constituents from the Aerial Parts of Carpesium macrocephalum

Dittrichia graveolens

1 reference

A eudesmanolide and other constituents fromInula graveolens

Syncretocarpus sericeus

1 reference

Sesquiterpene lactones from Syncretocarpus sericeus

Identifiers

InChI=1S/C15H22O3/c1-8(16)4-5-11-12-6-10-9(2)14(17)18-13(10)7-15(11,12)3/h8,10-13,16H,2,4-7H2,1,3H3/t8-,10+,11-,12-,13+,15+/m0/s1

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MTIXBBDFRVGBOQ-KHRLAKAQSA-N

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1 reference

17 September 2022

based on heuristic

inferred from InChIKey

UniChem compound ID

1 reference

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