Chalcones

Rhodomyrtosone I

PHY-NP-06628 · Natural product research catalog

Catalog number	PHY-NP-06628
CAS number	1402725-98-7
Molecular formula	C₂₈H₃₀O₆
Molecular weight	462.542 g/mol
Chemical class	Chalcones
Main reported source	Acacia sparsiflora
Purity / assay	Min. 98% Other purity specifications available on inquiry.

Chemical structure

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5 mg	Request quote	To be confirmed	Confirm in quotation
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20 mg	Request quote	To be confirmed	Confirm in quotation
50 mg	Request quote	To be confirmed	Confirm in quotation
100 mg	Request quote	To be confirmed	Confirm in quotation

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Rhodomyrtosone I is listed in the Chalcones 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.

IUPAC name	6,8-dihydroxy-2,2,4,4-tetramethyl-7-(3-methylbutanoyl)-9-phenyl-9H-xanthene-1,3-dione
SMILES	CC(C)CC(=O)C1=C(C2=C(C=C1O)OC3=C(C2C4=CC=CC=C4)C(=O)C(C(=O)C3(C)C)(C)C)O
InChIKey	IUCQPLXKIAOHNZ-UHFFFAOYSA-N
Subclass / scaffold	Chalcones
PubChem CID	134851230

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

View additional properties & classification

Ring count	4
Aromatic rings	2
Fraction Csp³	0.393
Synthetic accessibility score	3.7
QED score	0.472
Lipinski rule violations	1
NPClassifier pathway	Shikimates and Phenylpropanoids
NPClassifier superclass	Flavonoids
NPClassifier class	Chalcones
Parent SMILES	CC(C)CC(=O)c1c(O)cc2c(c1O)C(c1ccccc1)C1=C(O2)C(C)(C)C(=O)C(C)(C)C1=O
Parent formula	C₂₈H₃₀O₆
Parent molecular weight	462.542
Specified stereocenters	0
Unspecified stereocenters	1

Main reported source	Acacia sparsiflora

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

View occurrence records & references

LOTUS species records	0
LOTUS reference records	0
COCONUT occurrence records	Acacia sparsiflora; Achyranthes bidentata; Agave shawii; Alaria crispa; Ambrosia grayi; Anatheca montagnei; Ania latifolia; Arenaria juncea; Astrantia major; Baeomyces roseus; Bitis arietans; Camellia sasanqua; Carpinus cordata; Cassia javanica subsp. nodosa; Convallaria keiskei; Dirca occidentalis; Drypetes littoralis; Edgeworthia gardneri; Eucalyptus regnans; Euphorbia iberica; Evasterias troschelii; Evodiopanax innovans; Grindelia perennis; Hopea jucunda; Khaya grandifoliola; Lecidea speirodes; Micromonas pusilla; Myrtus tomentosa; Pachybasium candidum; Pinna nobilis
COCONUT organism records	44
COCONUT identifier	CNP0124602.1

Records are inherited from the supplied dataset and are not independently verified. Taxonomic names may include synonyms.

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

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