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Anthraquinones

Ruberythric acid

红柏酸

PHY-NP-15459 · Natural product research catalog

Catalog numberPHY-NP-15459
CAS number152-84-1
Molecular formulaC25H26O13
Molecular weight534.47 g/mol
Chemical classAnthraquinones
Main reported sourceRubia tinctorum
Purity / assayMin. 98%
Other purity specifications available on inquiry.

Chemical structure

Chemical structure of Ruberythric acid

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50 mgRequest quoteTo be confirmedConfirm in quotation
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Product information

Ruberythric acid is listed in the Anthraquinones 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 name1-hydroxy-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxyanthracene-9,10-dione
SMILESC1[C@H]([C@@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=C(C4=C(C=C3)C(=O)C5=CC=CC=C5C4=O)O)O)O)O)O)O)O
InChIKeyGCGGSVAWTYHZBI-CVQRFVFPSA-N
Subclass / scaffoldAnthraquinones and anthrones
PubChem CID92101

Computed properties

Exact mass (Da)534.1373Predicted LogP-2.1904
Predicted TPSA (Ų)212.67H-bond donors7
H-bond acceptors13Rotatable bonds5

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

View additional properties & classification
Ring count5
Aromatic rings2
Fraction Csp³0.44
Synthetic accessibility score4.44
QED score0.186
Lipinski rule violations3
NPClassifier pathwayPolyketides
NPClassifier superclassPolycyclic aromatic polyketides
NPClassifier classAnthraquinones and anthrones
Parent SMILESO=C1c2ccccc2C(=O)c2c1ccc(O[C@@H]1O[C@H](CO[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]1O)c2O
Parent formulaC25H26O13
Parent molecular weight534.47
Specified stereocenters9
Unspecified stereocenters0

Reported natural occurrence

Main reported sourceRubia tinctorum
Reported source familiesRubiaceae

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

View occurrence records & references
LOTUS / Wikidata speciesRubia tinctorum[6]
All reported source familiesRubiaceae[1]
LOTUS species records1
LOTUS reference records6
COCONUT occurrence recordsGalium odoratum (L.) Scop.; Oldenlandia sp.; Opiorrhiza sp.; Rubia akane; Rubia cordifolia; Rubia sp.; Rubia tinctorum; Rubia tinctorum L.
COCONUT organism records8
COCONUT identifierCNP0169391.1

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.