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Apocarotenoids

Loliolide

黑麦草内酯

PHY-NP-16284 · Natural product research catalog

Catalog numberPHY-NP-16284
CAS number5989-02-6
Molecular formulaC11H16O3
Molecular weight196.246 g/mol
Chemical classApocarotenoids
Main reported sourcePlantago major
Purity / assayMin. 98%
Other purity specifications available on inquiry.

Chemical structure

Chemical structure of Loliolide

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50 mgRequest quoteTo be confirmedConfirm in quotation
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Product information

Loliolide is listed in the Apocarotenoids section of the Phytide Bio research catalog. Standard pack sizes are 5, 10, 20, 50 and 100 mg.

For research use only. Not for human or veterinary use, diagnosis or treatment.

Names & identifiers

IUPAC name(6S,7aR)-6-hydroxy-4,4,7a-trimethyl-6,7-dihydro-5H-1-benzofuran-2-one
SMILESC[C@@]12C[C@H](CC(C1=CC(=O)O2)(C)C)O
InChIKeyXEVQXKKKAVVSMW-WRWORJQWSA-N
Subclass / scaffoldApocarotenoids (β-)
PubChem CID100332

Computed properties

Exact mass (Da)196.1099Predicted LogP1.4092
Predicted TPSA (Ų)46.53H-bond donors1
H-bond acceptors3Rotatable bonds0

Calculated values from the supplied dataset; not measured batch specifications.

View additional properties & classification
Ring count2
Aromatic rings0
Fraction Csp³0.727
Synthetic accessibility score4.2
QED score0.596
Lipinski rule violations0
NPClassifier pathwayTerpenoids
NPClassifier superclassApocarotenoids
NPClassifier classApocarotenoids (β-)
Parent SMILESCC1(C)C[C@H](O)C[C@@]2(C)OC(=O)C=C12
Parent formulaC11H16O3
Parent molecular weight196.246
Specified stereocenters2
Unspecified stereocenters0

Reported natural occurrence

Main reported sourcePlantago major
Reported source familiesAsteraceae; Lamiaceae; Moraceae

Reported natural occurrence does not establish the manufacturing origin of the supplied material.

View occurrence records & references
LOTUS / Wikidata speciesPlantago major[3]; Salvia divinorum[3]; common sunflower[3]; Calendula officinalis[2]; Digitalis purpurea[2]; Euphorbia helioscopia[2]; Euphorbia hirta[2]; Undaria pinnatifida[2]; Viscum coloratum[2]; Xanthium strumarium[2]; Acanthospermum hispidum[1]; Acanthosyris paulo-alvinii[1]; Ajuga decumbens[1]; Ajuga relicta[1]; Anacyclus monanthos[1]
All reported source familiesAsteraceae[57]; Lamiaceae[6]; Moraceae[5]; Fabaceae[5]; Plantaginaceae[4]; Euphorbiaceae[4]
LOTUS species records129
LOTUS reference records120
COCONUT occurrence recordsAcanthospermum hispidum; Acanthosyris paulo-alvinii; Acia oblonga; Agarum cribrosum; Aglaia elliptica; Ajuga decumbens; Ajuga relicta; Anacyclus monanthos; Anaphalis araneosa; Anaphalis busua; Arctotis fastuosa; Aristolochia gehrtii; Artemisia ludoviciana; Athyrium yokoscense; Bacillus amyloliquefaciens; Bacopa monnieri; Boergeseniella fruticulosa; Brachystemma calycinum; Broussonetia papyrifera; Bunias orientalis; Calendula officinalis; Canscora Decussata; Canscora alata; Canscora decussata; Capsicum annuum; Carpesium macrocephalum; Casearia sylvestris; Catananche caerulea; Centaurea aspera; Centaurea diffusa
COCONUT organism records208
COCONUT identifierCNP0245641.2

Records are inherited from the supplied dataset and are not independently verified. Taxonomic names may include synonyms.

Documents & specifications

Certificate of analysis (COA)Batch-specific COA available on request; no PDF published yet
Safety data sheet (SDS)Not yet published
Storage / solubilityProduct-specific conditions to be confirmed
ShippingConfirmed with the quotation

Request applicable documentation and handling information before ordering or use.