Sesquiterpenoids

(+)-Petasin

蜂斗菜素

PHY-NP-03529 · Natural product research catalog

Catalog number	PHY-NP-03529
CAS number	26577-85-5
Molecular formula	C₂₀H₂₈O₃
Molecular weight	316.441 g/mol
Chemical class	Sesquiterpenoids
Main reported source	Petasites hybridus
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
10 mg	Request quote	To be confirmed	Confirm in quotation
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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(+)-Petasin is listed in the Sesquiterpenoids 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	[(1R,2R,7S,8aR)-1,8a-dimethyl-6-oxo-7-prop-1-en-2-yl-1,2,3,4,7,8-hexahydronaphthalen-2-yl] (Z)-2-methylbut-2-enoate
SMILES	C/C=C(/C)\C(=O)O[C@@H]1CCC2=CC(=O)[C@@H](C[C@@]2([C@H]1C)C)C(=C)C
InChIKey	ISTBXSFGFOYLTM-NZEDGPFZSA-N
Subclass / scaffold	Eremophilane sesquiterpenoids
PubChem CID	5281526

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

View additional properties & classification

Ring count	2
Aromatic rings	0
Fraction Csp³	0.6
Synthetic accessibility score	4.38
QED score	0.44
Lipinski rule violations	0
NPClassifier pathway	Terpenoids
NPClassifier superclass	Sesquiterpenoids
NPClassifier class	Eremophilane sesquiterpenoids
Parent SMILES	C=C(C)[C@@H]1C[C@@]2(C)C(=CC1=O)CC[C@@H](OC(=O)/C(C)=C\C)[C@@H]2C
Parent formula	C₂₀H₂₈O₃
Parent molecular weight	316.441
Specified stereocenters	4
Unspecified stereocenters	0

Main reported source	Petasites hybridus
Reported source families	Asteraceae

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

View occurrence records & references

LOTUS / Wikidata species	Petasites hybridus[8]; Camptacra gracilis[2]; Ligularia subspicata[2]; Petasites formosanus[2]; Senecio integrifolius[2]; Hoehnephytum imbricatum[1]; Ligularia lamarum[1]; Ligularia sagitta[1]; Petasites fragrans[1]; Petasites japonicus[1]; Petasites pyrenaicus[1]; Sinacalia tangutica[1]; Tephroseris palustris[1]
All reported source families	Asteraceae[13]
LOTUS species records	13
LOTUS reference records	20
COCONUT occurrence records	Acacia armata; Aconitum tuberosum; Adonis sutchuenensis; Astragalus ernestii; Berneuxia thibetica; Bongardia chrysogonum; Briareum asbestinum; Bunodosoma caissarum; Camptacra gracilis; Cladogynos orientalis; Clusia ellipticifolia; Coniogramme intermedia; Dumoria heckeli; Elizabethkingia meningoseptica; Eragrostis curvula; Fritillaria meleagris; Hoehnephytum imbricatum; Isophysis tasmanica; Ligularia lamarum; Ligularia rumicifolia; Ligularia sagitta; Ligularia subspicata; Lonchocarpus laxiflorus; Mantella aurantiaca; Matricaria matricarioides; Metasequoia glyptostroboides; Panicum virgatum; Petasites Japonicus; Petasites formosanus; Petasites fragrans
COCONUT organism records	44
COCONUT identifier	CNP0258316.3

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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