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Diterpenoids

Momilactone A

稻壳酮A

PHY-NP-03023 · Natural product research catalog

Catalog numberPHY-NP-03023
CAS number51415-07-7
Molecular formulaC20H26O3
Molecular weight314.425 g/mol
Chemical classDiterpenoids
Main reported sourceOryza molida
Purity / assayMin. 98%
Other purity specifications available on inquiry.

Chemical structure

Chemical structure of Momilactone A

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Product information

Momilactone 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,2R,5R,9R,12R,16R)-5-ethenyl-1,5,12-trimethyl-10-oxatetracyclo[7.6.1.02,7.012,16]hexadec-7-ene-11,13-dione
SMILESC[C@]1(CC[C@@H]2C(=C[C@@H]3[C@@H]4[C@@]2(CCC(=O)[C@@]4(C(=O)O3)C)C)C1)C=C
InChIKeyMPHXYQVSOFGNEN-JGHPTVLTSA-N
Subclass / scaffoldPimarane and Isopimarane diterpenoids
PubChem CID162644

Computed properties

Exact mass (Da)314.1882Predicted LogP3.8359
Predicted TPSA (Ų)43.37H-bond donors0
H-bond acceptors3Rotatable bonds1

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

View additional properties & classification
Ring count4
Aromatic rings0
Fraction Csp³0.7
Synthetic accessibility score5.02
QED score0.419
Lipinski rule violations0
NPClassifier pathwayTerpenoids
NPClassifier superclassDiterpenoids
NPClassifier classPimarane and Isopimarane diterpenoids
Parent SMILESC=C[C@]1(C)CC[C@@H]2C(=C[C@H]3OC(=O)[C@@]4(C)C(=O)CC[C@@]2(C)[C@@H]34)C1
Parent formulaC20H26O3
Parent molecular weight314.425
Specified stereocenters6
Unspecified stereocenters0

Reported natural occurrence

Main reported sourceOryza molida
Reported source familiesPoaceae; Hypnaceae

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

View occurrence records & references
LOTUS / Wikidata speciesOryza molida[6]; Hypnum plumaeforme[1]
All reported source familiesPoaceae[1]; Hypnaceae[1]
LOTUS species records2
LOTUS reference records7
COCONUT occurrence recordsHypnum plumaeforme; Oryza Sativa; Oryza sativa
COCONUT organism records3
COCONUT identifierCNP0381556.4

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.