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Alkaloids

7-Acetyllycopsamine

7-乙酰基环磷酰胺盐酸盐

PHY-NP-08741 · Natural product research catalog

Catalog numberPHY-NP-08741
CAS number73544-48-6
Molecular formulaC17H27NO6
Molecular weight341.404 g/mol
Chemical classAlkaloids
Main reported sourceSymphytum officinale
Purity / assayMin. 98%
Other purity specifications available on inquiry.

Chemical structure

Chemical structure of 7-Acetyllycopsamine

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Product information

7-Acetyllycopsamine is listed in the Alkaloids 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[(7R,8R)-7-acetyloxy-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl (2S)-2-hydroxy-2-[(1S)-1-hydroxyethyl]-3-methylbutanoate
SMILESC[C@@H]([C@@](C(C)C)(C(=O)OCC1=CCN2[C@H]1[C@@H](CC2)OC(=O)C)O)O
InChIKeyRKDOFSJTBIDAHX-OFSOMGBPSA-N
Subclass / scaffoldOrnithine alkaloids:Pyrrolizidine alkaloids
PubChem CID156006

Computed properties

Exact mass (Da)341.1838Predicted LogP0.2435
Predicted TPSA (Ų)96.3H-bond donors2
H-bond acceptors7Rotatable bonds6

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

View additional properties & classification
Ring count2
Aromatic rings0
Fraction Csp³0.765
Synthetic accessibility score4.29
QED score0.528
Lipinski rule violations0
NPClassifier pathwayAlkaloids
NPClassifier superclassOrnithine alkaloids
NPClassifier classPyrrolizidine alkaloids
Parent SMILESCC(=O)O[C@@H]1CCN2CC=C(COC(=O)[C@](O)(C(C)C)[C@H](C)O)[C@H]12
Parent formulaC17H27NO6
Parent molecular weight341.404
Specified stereocenters4
Unspecified stereocenters0

Reported natural occurrence

Main reported sourceSymphytum officinale
Reported source familiesBoraginaceae

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

View occurrence records & references
LOTUS / Wikidata speciesSymphytum officinale[5]; Amsinckia grandiflora[1]; Amsinckia lycopsioides[1]; Amsinckia menziesii[1]; Cryptantha virgata[1]; Echium horridum[1]; Echium humile[1]; Echium rauwolfii[1]; Lappula myosotis[1]; Lappula squarrosa[1]; Onosma arenaria[1]; Oreocarya cana[1]; Oreocarya flava[1]; Oreocarya virgata[1]; Pulmonaria obscura[1]
All reported source familiesBoraginaceae[18]
Genus / family recordsSymphytum[3]
LOTUS species records17
LOTUS reference records16
COCONUT occurrence recordsAmsinckia grandiflora; Amsinckia intermedia; Amsinckia lycopsioides; Amsinckia menziesii; Amsinckia sp.; Anchusa arvensis (L.) Bieb.; Anchusa officinalis L.; Anchusa sp.; Borago officinalis L.; Borago sp.; Cryptantha virgata; Echium horridum; Echium humile; Echium plantagineum; Echium rauwolfii; Lappula myosotis; Lappula squarrosa; Onosma arenaria; Oreocarya cana; Oreocarya flava; Oreocarya virgata; Pulmonaria obscura; Russian comfrey; Symphytum; Symphytum asperum; Symphytum asperum Lepech.; Symphytum bulbosum K. F. Schimp.; Symphytum officinale; Symphytum officinale L.; Symphytum sp.
COCONUT organism records32
COCONUT identifierCNP0118904.3

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

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