Steroids

27-O-acetyl-withaferin A

27-O-乙酰醉茄素A

PHY-NP-11098 · Natural product research catalog

Catalog number	PHY-NP-11098
CAS number	1214886-35-7
Molecular formula	C₃₀H₄₀O₇
Molecular weight	512.643 g/mol
Chemical class	Steroids
Main reported source	Withania aristata
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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27-O-acetyl-withaferin A is listed in the Steroids 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.

SMILES	CC1=C(C(=O)O[C@H](C1)[C@@H](C)[C@H]2CC[C@@H]3[C@@]2(CC[C@H]4[C@H]3C[C@@H]5[C@]6([C@@]4(C(=O)C=C[C@@H]6O)C)O5)C)COC(=O)C
InChIKey	ARTYOOFBEGPUAU-NSXHFEBNSA-N
Subclass / scaffold	Ergostane steroids
PubChem CID	57328756

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

View additional properties & classification

Ring count	6
Aromatic rings	0
Fraction Csp³	0.767
Synthetic accessibility score	5.72
QED score	0.45
Lipinski rule violations	1
NPClassifier pathway	Terpenoids
NPClassifier superclass	Steroids
NPClassifier class	Ergostane steroids
Parent SMILES	CC(=O)OCC1=C(C)C[C@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@]23C)OC1=O
Parent formula	C₃₀H₄₀O₇
Parent molecular weight	512.643
Specified stereocenters	11
Unspecified stereocenters	0

Main reported source	Withania aristata
Reported source families	Solanaceae

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

View occurrence records & references

LOTUS / Wikidata species	Withania aristata[1]
All reported source families	Solanaceae[1]
LOTUS species records	1
LOTUS reference records	1
COCONUT occurrence records	Withania aristata
COCONUT organism records	1
COCONUT identifier	CNP0127777.2

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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