Sesquiterpenoids

Rupestonic acid

一枝蒿酮酸

PHY-NP-03857 · Natural product research catalog

Catalog number	PHY-NP-03857
CAS number	115473-63-7
Molecular formula	C₁₅H₂₀O₃
Molecular weight	248.322 g/mol
Chemical class	Sesquiterpenoids
Main reported source	Artemisia rupestris
Purity / assay	Min. 98% Other purity specifications available on inquiry.

Chemical structure

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Pack	Price (USD)	Availability	Lead time
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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Rupestonic acid 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	2-[(5S,8S,8aS)-3,8-dimethyl-2-oxo-4,5,6,7,8,8a-hexahydro-1H-azulen-5-yl]prop-2-enoic acid
SMILES	C[C@H]1CC[C@@H](CC2=C(C(=O)C[C@@H]12)C)C(=C)C(=O)O
InChIKey	ZFHSKBJBODQVBX-UWJYBYFXSA-N
Subclass / scaffold	Guaiane sesquiterpenoids
PubChem CID	3081082

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	3.98
QED score	0.764
Lipinski rule violations	0
NPClassifier pathway	Terpenoids
NPClassifier superclass	Sesquiterpenoids
NPClassifier class	Guaiane sesquiterpenoids
Parent SMILES	C=C(C(=O)O)[C@H]1CC[C@H](C)[C@@H]2CC(=O)C(C)=C2C1
Parent formula	C₁₅H₂₀O₃
Parent molecular weight	248.322
Specified stereocenters	3
Unspecified stereocenters	0

Main reported source	Artemisia rupestris

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

View occurrence records & references

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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