Lignans

(-)-3,4-Divanillyltetrahydrofuran

脱水开环异落叶松树脂酚

PHY-NP-06009 · Natural product research catalog

Catalog number	PHY-NP-06009
CAS number	29388-33-8
Molecular formula	C₂₀H₂₄O₅
Molecular weight	344.407 g/mol
Chemical class	Lignans
Main reported source	Calocedrus formosana
Purity / assay	Min. 98% Other purity specifications available on inquiry.

Chemical structure

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Product information

(-)-3,4-Divanillyltetrahydrofuran 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	4-[[(3R,4R)-4-[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-3-yl]methyl]-2-methoxyphenol
SMILES	COC1=C(C=CC(=C1)C[C@H]2COC[C@@H]2CC3=CC(=C(C=C3)O)OC)O
InChIKey	ROGUIJKVZZROIQ-HOTGVXAUSA-N
Subclass / scaffold	Furanoid lignans
PubChem CID	9974771

Computed properties

Exact mass (Da)	344.1624	Predicted LogP	3.1628
Predicted TPSA (Å²)	68.15	H-bond donors	2
H-bond acceptors	5	Rotatable bonds	6

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

View additional properties & classification

Ring count	3
Aromatic rings	2
Fraction Csp³	0.4
Synthetic accessibility score	3.15
QED score	0.842
Lipinski rule violations	0
NPClassifier pathway	Shikimates and Phenylpropanoids
NPClassifier superclass	Lignans
NPClassifier class	Furanoid lignans
Parent SMILES	COc1cc(C[C@H]2COC[C@@H]2Cc2ccc(O)c(OC)c2)ccc1O
Parent formula	C₂₀H₂₄O₅
Parent molecular weight	344.407
Specified stereocenters	2
Unspecified stereocenters	0

Reported natural occurrence

Main reported source	Calocedrus formosana
Reported source families	Cupressaceae; Solanaceae; Celastraceae

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

View occurrence records & references

LOTUS / Wikidata species	Calocedrus formosana[1]; Dracaena draco[1]; Monteverdia apurimacensis[1]; Urtica dioica[1]
All reported source families	Cupressaceae[1]; Solanaceae[1]; Celastraceae[1]; Urticaceae[1]
LOTUS species records	4
LOTUS reference records	4
COCONUT occurrence records	Achillea micrantha; Bacillus subtilis; Bidens cernua; Calocedrus formosana; Citrus hybr; Crucianella maritima; Dracaena draco; Euphorbia cheiradenia; Iris pallida; Kadsura heteroclita; Maytenus apurimacensis; Monteverdia apurimacensis; Pentzia calva; Perenniporia ochroleuca; Pholiota squarrosa; Phormidium sp; Plazia daphnoides; Pyrus x bretschneideri; Reticulitermes flavipes; Solidago chinensis; Symphonia globulifera; Tetracera asiatica; Tolypocladium ophioglossoides; Urtica dioica; Wedelia biflora
COCONUT organism records	25
COCONUT identifier	CNP0287210.1

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 / solubility	Product-specific conditions to be confirmed
Shipping	Confirmed with the quotation

Request applicable documentation and handling information before ordering or use.