Triterpenoids

11α,12α-Oxidotaraxerol palmitate

PHY-NP-01495 · Natural product research catalog

Catalog number	PHY-NP-01495
CAS number	495389-95-2
Molecular formula	C₄₆H₇₈O₃
Molecular weight	679.127 g/mol
Chemical class	Triterpenoids
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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Product information

11α,12α-Oxidotaraxerol palmitate is listed in the Triterpenoids 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.

Names & identifiers

SMILES	CCCCCCCCCCCCCCCC(=O)O[C@H]1CC[C@]2([C@H](C1(C)C)CC[C@@]3([C@@H]2[C@H]4[C@H](O4)[C@@]5(C3=CC[C@@]6([C@H]5CC(CC6)(C)C)C)C)C)C
InChIKey	CBFIJBKKXHURHF-PENCEYGOSA-N
Subclass / scaffold	Taraxerane triterpenoids
PubChem CID	125115276

Computed properties

Exact mass (Da)	678.5951	Predicted LogP	13.1883
Predicted TPSA (Å²)	38.83	H-bond donors	0
H-bond acceptors	3	Rotatable bonds	15

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

View additional properties & classification

Ring count	6
Aromatic rings	0
Fraction Csp³	0.935
Synthetic accessibility score	5.19
QED score	0.075
Lipinski rule violations	2
NPClassifier pathway	Terpenoids
NPClassifier superclass	Triterpenoids
NPClassifier class	Taraxerane triterpenoids
Parent SMILES	CCCCCCCCCCCCCCCC(=O)O[C@H]1CC[C@]2(C)[C@H]3[C@@H]4O[C@@H]4[C@]4(C)C(=CC[C@@]5(C)CCC(C)(C)C[C@H]54)[C@]3(C)CC[C@H]2C1(C)C
Parent formula	C₄₆H₇₈O₃
Parent molecular weight	679.127
Specified stereocenters	10
Unspecified stereocenters	0

Reported natural occurrence

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

View occurrence records & references

LOTUS species records	0
LOTUS reference records	0
COCONUT organism records	0

Records are inherited from the supplied dataset and are not independently verified. Taxonomic names may include synonyms.

Documents & specifications

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

Request applicable documentation and handling information before ordering or use.