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Diterpenoids

Yunnacoronarin A

滇姜花素A

PHY-NP-02903 · Natural product research catalog

Catalog numberPHY-NP-02903
CAS number162762-93-8
Molecular formulaC20H28O2
Molecular weight300.442 g/mol
Chemical classDiterpenoids
Main reported sourceHedychium champasakense
Purity / assayMin. 98%
Other purity specifications available on inquiry.

Chemical structure

Chemical structure of Yunnacoronarin A

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Product information

Yunnacoronarin A is listed in the Diterpenoids 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(1R,4S,4aR,8aS)-4-[(E)-2-(furan-3-yl)ethenyl]-4a,8,8-trimethyl-3-methylidene-2,4,5,6,7,8a-hexahydro-1H-naphthalen-1-ol
SMILESC[C@]12CCCC([C@@H]1[C@@H](CC(=C)[C@@H]2/C=C/C3=COC=C3)O)(C)C
InChIKeyUTIGHTZWXIGRIJ-JEQJTPLUSA-N
Subclass / scaffoldLabdane diterpenoids
PubChem CID12187319

Computed properties

Exact mass (Da)300.2089Predicted LogP5.0624
Predicted TPSA (Ų)33.37H-bond donors1
H-bond acceptors2Rotatable bonds2

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

View additional properties & classification
Ring count3
Aromatic rings1
Fraction Csp³0.6
Synthetic accessibility score4.45
QED score0.774
Lipinski rule violations1
NPClassifier pathwayTerpenoids
NPClassifier superclassDiterpenoids
NPClassifier classLabdane diterpenoids
Parent SMILESC=C1C[C@@H](O)[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1/C=C/c1ccoc1
Parent formulaC20H28O2
Parent molecular weight300.442
Specified stereocenters4
Unspecified stereocenters0

Reported natural occurrence

Main reported sourceHedychium champasakense
Reported source familiesZingiberaceae

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

View occurrence records & references
LOTUS / Wikidata speciesHedychium champasakense[1]; Hedychium forrestii[1]; Hedychium gardnerianum[1]; Hedychium longipetalum[1]; Hedychium spicatum[1]
All reported source familiesZingiberaceae[5]
LOTUS species records5
LOTUS reference records4
COCONUT occurrence recordsHadychium yunnanense; Hedychium champasakense; Hedychium forrestii; Hedychium gardnerianum; Hedychium longipetalum; Hedychium spicatum; Hedychium yunnanense; Taxus wallichiana var. wallichiana; hedychium longipetalum
COCONUT organism records9
COCONUT identifierCNP0218387.1

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

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