Diterpenoids

13-O-(Triethylsilyl) Baccatin III

13-O-三乙基硅基巴卡亭III

PHY-NP-03093 · Natural product research catalog

Catalog number	PHY-NP-03093
CAS number	208406-86-4
Molecular formula	C₃₇H₅₂O₁₁Si
Molecular weight	700.898 g/mol
Chemical class	Diterpenoids
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
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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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Product information

13-O-(Triethylsilyl) Baccatin III is listed in the Diterpenoids 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

IUPAC name	[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-diacetyloxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-15-triethylsilyloxy-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate
SMILES	CC[Si](CC)(CC)O[C@H]1C[C@]2([C@H]([C@H]3[C@@]([C@H](C[C@@H]4[C@]3(CO4)OC(=O)C)O)(C(=O)[C@@H](C(=C1C)C2(C)C)OC(=O)C)C)OC(=O)C5=CC=CC=C5)O
InChIKey	NKNHZPLYHAABLP-UZBMNOCMSA-N
Subclass / scaffold	Taxane diterpenoids
PubChem CID	71752652

Computed properties

Exact mass (Da)	700.3279	Predicted LogP	4.6821
Predicted TPSA (Å²)	154.89	H-bond donors	2
H-bond acceptors	11	Rotatable bonds	9

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

View additional properties & classification

Ring count	5
Aromatic rings	1
Fraction Csp³	0.676
Synthetic accessibility score	5.78
QED score	0.16
Lipinski rule violations	2
NPClassifier pathway	Terpenoids
NPClassifier superclass	Diterpenoids
NPClassifier class	Taxane diterpenoids
Parent SMILES	CC[Si](CC)(CC)O[C@H]1C[C@@]2(O)[C@@H](OC(=O)c3ccccc3)[C@@H]3[C@]4(OC(C)=O)CO[C@@H]4C[C@H](O)[C@@]3(C)C(=O)[C@H](OC(C)=O)C(=C1C)C2(C)C
Parent formula	C₃₇H₅₂O₁₁Si
Parent molecular weight	700.898
Specified stereocenters	9
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.