Phenylpropanoids

Regaloside A

王百合苷A

PHY-NP-14804 · Natural product research catalog

Catalog number	PHY-NP-14804
CAS number	114420-66-5
Molecular formula	C₁₈H₂₄O₁₀
Molecular weight	400.38 g/mol
Chemical class	Phenylpropanoids
Main reported source	Fritillaria camtschatcensis
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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Regaloside A is listed in the Phenylpropanoids 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	[(2S)-2-hydroxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropyl] (E)-3-(4-hydroxyphenyl)prop-2-enoate
SMILES	C1=CC(=CC=C1/C=C/C(=O)OC[C@H](CO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O
InChIKey	PADHSFRQMFRWLS-BFQBLSCMSA-N
Subclass / scaffold	Cinnamic acids and derivatives Phenylethanoids
PubChem CID	5459131

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

View additional properties & classification

Ring count	2
Aromatic rings	1
Fraction Csp³	0.5
Synthetic accessibility score	3.85
QED score	0.215
Lipinski rule violations	1
NPClassifier pathway	Shikimates and Phenylpropanoids
NPClassifier superclass	Phenylethanoids (C6-C2)；Phenylpropanoids (C6-C3)
NPClassifier class	Cinnamic acids and derivatives；Phenylethanoids
Parent SMILES	O=C(/C=C/c1ccc(O)cc1)OC[C@@H](O)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
Parent formula	C₁₈H₂₄O₁₀
Parent molecular weight	400.38
Specified stereocenters	6
Unspecified stereocenters	0

Main reported source	Fritillaria camtschatcensis
Reported source families	Liliaceae

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

View occurrence records & references

LOTUS / Wikidata species	Fritillaria camtschatcensis[1]; Lilium auratum[1]; Lilium henryi[1]; Lilium mackliniae[1]; Lilium regale[1]; Lilium speciosum[1]
All reported source families	Liliaceae[6]
LOTUS species records	6
LOTUS reference records	6
COCONUT occurrence records	Bryocladia cuspidata; Crotalus mitchellii; Cyclamen purpurascens; Eupenicillium javanicum; Fritillaria camtschatcensis; Lilium auratum; Lilium brownii; Lilium henryi; Lilium lancifolium; Lilium mackliniae; Lilium pumilum; Lilium regale; Lilium speciosum; Pityrodia lepidota; Streptomyces diastaticus; Trifolium caucasicum
COCONUT organism records	16
COCONUT identifier	CNP0205578.2

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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