Phenylpropanoids

Citrusin D

(E)-异松柏苷

PHY-NP-14551 · Natural product research catalog

Catalog number	PHY-NP-14551
CAS number	113349-27-2
Molecular formula	C₁₆H₂₂O₈
Molecular weight	342.344 g/mol
Chemical class	Phenylpropanoids
Main reported source	Codonopsis cordifolioidea
Purity / assay	Min. 98% Other purity specifications available on inquiry.

Chemical structure

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100 mg	Request quote	To be confirmed	Confirm in quotation

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Citrusin D is listed in the Phenylpropanoids 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	(2R,3R,4S,5S,6R)-2-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
SMILES	COC1=C(C=CC(=C1)/C=C/CO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O
InChIKey	JOIDTHZGWZZGMU-FAOXUISGSA-N
Subclass / scaffold	Cinnamic acids and derivatives
PubChem CID	10914828

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

View additional properties & classification

Ring count	2
Aromatic rings	1
Fraction Csp³	0.5
Synthetic accessibility score	3.66
QED score	0.456
Lipinski rule violations	0
NPClassifier pathway	Shikimates and Phenylpropanoids
NPClassifier superclass	Phenylpropanoids (C6-C3)
NPClassifier class	Cinnamic acids and derivatives
Parent SMILES	COc1cc(/C=C/CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)ccc1O
Parent formula	C₁₆H₂₂O₈
Parent molecular weight	342.344
Specified stereocenters	5
Unspecified stereocenters	0

Main reported source	Codonopsis cordifolioidea
Reported source families	Cupressaceae; Pinaceae; Campanulaceae

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

View occurrence records & references

LOTUS / Wikidata species	Codonopsis cordifolioidea[2]; Coleogyne ramosissima[1]; Juniperus communis[1]; Juniperus communis depressa[1]; Juniperus communis var. depressa[1]; Picea abies[1]; Pinus sylvestris[1]; Zantedeschia aethiopica[1]
All reported source families	Cupressaceae[3]; Pinaceae[2]; Campanulaceae[1]; Rosaceae[1]; Araceae[1]
LOTUS species records	8
LOTUS reference records	7
COCONUT occurrence records	Alcea rosea; Alcyonium utinomii; Aldisa sanguinea; Alpinia blepharocalyx; Anguilla japonica; Antitrogus consanguineus; Aonidiella aurantii; Aplysina archeri; Araiostegiella perdurans; Aspergillus carneus; Aspergillus striatus; Balanops australiana; Berberis aquifolium; Centaurea napifolia; Codonopsis cordifolioidea; Coleogyne ramosissima; Cortinarius odoratus; Diplopteraster multipes; Eleutherobia albiflora; Eucalyptus jenseni; Euonymus tingens; Euphorbia cornigera; Gmelina arborea; Gymnopus confluens; Hornschuchia citriodora; Hydnocarpus octandra; Hylocomium splendens; Juniperus communis; Juniperus communis depressa; Juniperus communis var. depressa
COCONUT organism records	52
COCONUT identifier	CNP0154053.2

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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