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Diterpenoids

Isocoronarin D

Isocoronarin D

PHY-NP-02888 · Natural product research catalog

Catalog numberPHY-NP-02888
CAS number138965-88-5
Molecular formulaC20H30O3
Molecular weight318.457 g/mol
Chemical classDiterpenoids
Main reported sourceAlpinia galanga
Purity / assayMin. 98%
Other purity specifications available on inquiry.

Chemical structure

Chemical structure of Isocoronarin D

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Product information

Isocoronarin D 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

SMILESC[C@]12CCCC([C@@H]1CCC(=C)[C@@H]2C/C=C/3\C(COC3=O)O)(C)C
InChIKeyWCYYIFXENZTEHA-AIWPHDBSSA-N
Subclass / scaffoldLabdane diterpenoids
PubChem CID71550939

Computed properties

Exact mass (Da)318.2195Predicted LogP4.0194
Predicted TPSA (Ų)46.53H-bond donors1
H-bond acceptors3Rotatable bonds2

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

View additional properties & classification
Ring count3
Aromatic rings0
Fraction Csp³0.75
Synthetic accessibility score4.4
QED score0.475
Lipinski rule violations0
NPClassifier pathwayTerpenoids
NPClassifier superclassDiterpenoids
NPClassifier classLabdane diterpenoids
Parent SMILESC=C1CC[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1C/C=C1/C(=O)OCC1O
Parent formulaC20H30O3
Parent molecular weight318.457
Specified stereocenters3
Unspecified stereocenters1

Reported natural occurrence

Main reported sourceAlpinia galanga
Reported source familiesZingiberaceae

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

View occurrence records & references
LOTUS / Wikidata speciesAlpinia galanga[1]; Hedychium coronarium[1]
All reported source familiesZingiberaceae[2]
LOTUS species records2
LOTUS reference records2
COCONUT occurrence recordsAlpinia galanga; Hedychium coronarium
COCONUT organism records2
COCONUT identifierCNP0142844.1

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.