Iridoids

Hastatoside

戟叶马鞭草苷

PHY-NP-07420 · Natural product research catalog

Catalog number	PHY-NP-07420
CAS number	50816-24-5
Molecular formula	C₁₇H₂₄O₁₁
Molecular weight	404.368 g/mol
Chemical class	Iridoids
Main reported source	Verbena officinalis
Purity / assay	Min. 98% Other purity specifications available on inquiry.

Chemical structure

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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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Hastatoside is listed in the Iridoids 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	methyl (1S,4aR,7S,7aR)-4a-hydroxy-7-methyl-5-oxo-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,6,7,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate
SMILES	C[C@H]1CC(=O)[C@]2([C@@H]1[C@@H](OC=C2C(=O)OC)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O
InChIKey	PRZVXHGUJJPSME-CZMSZWGTSA-N
Subclass / scaffold	Iridoids monoterpenoids
PubChem CID	92043450

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

View additional properties & classification

Ring count	3
Aromatic rings	0
Fraction Csp³	0.765
Synthetic accessibility score	4.84
QED score	0.306
Lipinski rule violations	1
NPClassifier pathway	Terpenoids
NPClassifier superclass	Monoterpenoids
NPClassifier class	Iridoids monoterpenoids
Parent SMILES	COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2[C@@H](C)CC(=O)[C@]12O
Parent formula	C₁₇H₂₄O₁₁
Parent molecular weight	404.368
Specified stereocenters	9
Unspecified stereocenters	0

Main reported source	Verbena officinalis
Reported source families	Plantaginaceae; Verbenaceae

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

View occurrence records & references

LOTUS / Wikidata species	Verbena officinalis[6]; Penstemon secundiflorus[4]; Penstemon grandiflorus[1]; Penstemon nitidus[1]; Verbena hastata[1]
All reported source families	Plantaginaceae[3]; Verbenaceae[2]
LOTUS species records	5
LOTUS reference records	12
COCONUT occurrence records	Penstemon grandiflorus; Penstemon nitidus; Penstemon secundiflorus; Verbena Officinalis; Verbena hastata; Verbena officinalis
COCONUT organism records	6
COCONUT identifier	CNP0412446.5

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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