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Chemical structure of Momilactone B
Diterpenoids

Momilactone B

稻壳酮B

PHY-NP-03024 · Natural product research catalog

Catalog numberPHY-NP-03024
CAS number51415-08-8
Molecular formulaC20H26O4
Molecular weight330.424 g/mol
Chemical classDiterpenoids
Purity / assayConfirmed in quotation and batch COA

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Product information

Momilactone B 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(1S,2R,5R,12R,18R)-5-ethenyl-13-hydroxy-5,12-dimethyl-10,14-dioxapentacyclo[11.2.2.11,9.02,7.012,18]octadec-7-en-11-one
SMILESC[C@]1(CC[C@@H]2C(=CC3[C@@H]4[C@]25CCC([C@@]4(C(=O)O3)C)(OC5)O)C1)C=C
InChIKeySONPFFIKLYCKOY-WXVXRDCTSA-N
Subclass / scaffoldPimarane and Isopimarane diterpenoids
PubChem CID3084979

Computed properties & structure classification

Exact mass (Da)330.1831Predicted LogP2.9657
Predicted TPSA (Ų)55.76H-bond donors1
H-bond acceptors4Rotatable bonds1
Ring count6Aromatic rings0
Fraction Csp³0.75Synthetic accessibility score6.56
QED score0.593Lipinski rule violations0
NPClassifier pathwayTerpenoidsNPClassifier superclassDiterpenoids
NPClassifier classPimarane and Isopimarane diterpenoidsParent SMILESC=C[C@]1(C)CC[C@@H]2C(=CC3OC(=O)[C@]4(C)[C@H]3[C@]23CCC4(O)OC3)C1
Parent formulaC20H26O4Parent molecular weight330.424
Specified stereocenters5Unspecified stereocenters2

Structure-derived values from the supplied dataset; not measured batch specifications or experimentally verified activity.

Reported natural occurrence

Main reported sourceOryza molida
LOTUS / Wikidata speciesOryza molida(水稻)[4]
Source familiesPoaceae[1]
LOTUS species records1
LOTUS reference records4
COCONUT occurrence recordsOryza Sativa;Oryza sativa
COCONUT organism records2
COCONUT identifierCNP0222320.3

Occurrence records are inherited from the supplied dataset. They do not establish manufacturing origin, batch traceability or independent literature verification. Taxonomic names may include synonyms.

Structure resources

Documents & specifications

Certificate of analysis (COA)Batch-specific document pending; not available in this preview
Safety data sheet (SDS)Not yet published
Storage / solubilityProduct-specific conditions to be confirmed
ShippingConfirmed with the quotation

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