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Lignans

Gomisin S

戈米辛S

PHY-NP-05867 · Natural product research catalog

Catalog numberPHY-NP-05867
CAS number119239-49-5
Molecular formulaC23H30O7
Molecular weight418.486 g/mol
Chemical classLignans
Main reported sourceSchisandra sphenanthera
Purity / assayMin. 98%
Other purity specifications available on inquiry.

Chemical structure

Chemical structure of Gomisin S

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Product information

Gomisin S 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.

Names & identifiers

IUPAC name(9S,10S,11S)-3,4,14,15,16-pentamethoxy-9,10-dimethyltricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaene-5,11-diol
SMILESC[C@H]1CC2=CC(=C(C(=C2C3=C(C(=C(C=C3[C@H]([C@H]1C)O)OC)OC)OC)OC)OC)O
InChIKeyFNANNZAGLCKFOL-ZKTNFTSUSA-N
Subclass / scaffoldDibenzocyclooctadienes lignans
PubChem CID14213995

Computed properties

Exact mass (Da)418.1992Predicted LogP3.9639
Predicted TPSA (Ų)86.61H-bond donors2
H-bond acceptors7Rotatable bonds5

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

View additional properties & classification
Ring count3
Aromatic rings2
Fraction Csp³0.478
Synthetic accessibility score3.7
QED score0.76
Lipinski rule violations0
NPClassifier pathwayShikimates and Phenylpropanoids
NPClassifier superclassLignans
NPClassifier classDibenzocyclooctadienes lignans
Parent SMILESCOc1cc2c(c(OC)c1OC)-c1c(cc(O)c(OC)c1OC)C[C@H](C)[C@H](C)[C@@H]2O
Parent formulaC23H30O7
Parent molecular weight418.486
Specified stereocenters3
Unspecified stereocenters0

Reported natural occurrence

Main reported sourceSchisandra sphenanthera
Reported source familiesSchisandraceae

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

View occurrence records & references
LOTUS / Wikidata speciesSchisandra sphenanthera[2]; Schisandra arisanensis[1]; Schisandra bicolor[1]; Schisandra chinensis[1]; Schisandra wilsoniana[1]
All reported source familiesSchisandraceae[5]
LOTUS species records5
LOTUS reference records4
COCONUT occurrence recordsSchisandra arisanensis; Schisandra bicolor; Schisandra chinensis; Schisandra sphenanthera; Schisandra wilsoniana
COCONUT organism records5
COCONUT identifierCNP0159908.2

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

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