Lignans

Acetyl-binankadsurin A

乙酰日本南五味子素甲

PHY-NP-05836 · Natural product research catalog

Catalog number	PHY-NP-05836
CAS number	77174-33-5
Molecular formula	C₂₄H₂₈O₈
Molecular weight	444.48 g/mol
Chemical class	Lignans
Main reported source	Kadsura coccinea
Purity / assay	Min. 98% Other purity specifications available on inquiry.

Chemical structure

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20 mg	Request quote	To be confirmed	Confirm in quotation
50 mg	Request quote	To be confirmed	Confirm in quotation
100 mg	Request quote	To be confirmed	Confirm in quotation

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Acetyl-binankadsurin A is listed in the Lignans 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.

IUPAC name	[(9R,10R,11R)-3-hydroxy-4,5,19-trimethoxy-9,10-dimethyl-15,17-dioxatetracyclo[10.7.0.02,7.014,18]nonadeca-1(19),2,4,6,12,14(18)-hexaen-11-yl] acetate
SMILES	C[C@@H]1CC2=CC(=C(C(=C2C3=C(C4=C(C=C3[C@@H]([C@@H]1C)OC(=O)C)OCO4)OC)O)OC)OC
InChIKey	FQRABLUDNBDAFZ-JWCBKOKGSA-N
Subclass / scaffold	Dibenzocyclooctadienes lignans
PubChem CID	10478619

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

View additional properties & classification

Ring count	4
Aromatic rings	2
Fraction Csp³	0.458
Synthetic accessibility score	3.92
QED score	0.7
Lipinski rule violations	0
NPClassifier pathway	Shikimates and Phenylpropanoids
NPClassifier superclass	Lignans
NPClassifier class	Dibenzocyclooctadienes lignans
Parent SMILES	COc1cc2c(c(O)c1OC)-c1c(cc3c(c1OC)OCO3)[C@H](OC(C)=O)[C@H](C)[C@H](C)C2
Parent formula	C₂₄H₂₈O₈
Parent molecular weight	444.48
Specified stereocenters	3
Unspecified stereocenters	0

Main reported source	Kadsura coccinea
Reported source families	Schisandraceae

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

View occurrence records & references

LOTUS / Wikidata species	Kadsura coccinea[2]; Kadsura japonica[1]
All reported source families	Schisandraceae[2]
LOTUS species records	2
LOTUS reference records	3
COCONUT occurrence records	Kadsura coccinea; Kadsura japonica
COCONUT organism records	2
COCONUT identifier	CNP0211716.3

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

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

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