Diterpenoids

5-Acetyltaxachitriene A

5-乙酰中国紫杉三烯甲素

PHY-NP-03103 · Natural product research catalog

Catalog number	PHY-NP-03103
CAS number	187988-48-3
Molecular formula	C₃₄H₄₆O₁₄
Molecular weight	678.728 g/mol
Chemical class	Diterpenoids
Purity / assay	Confirmed in quotation and batch COA

Chemical structure

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Product information

5-Acetyltaxachitriene A 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	(2,5,7,9,10,13-hexaacetyloxy-8,12,15,15-tetramethyl-4-bicyclo[9.3.1]pentadeca-3,8,11-trienyl)methyl acetate
SMILES	CC1=C2C(C(=C(C(CC(C(=CC(C(C2(C)C)CC1OC(=O)C)OC(=O)C)COC(=O)C)OC(=O)C)OC(=O)C)C)OC(=O)C)OC(=O)C
InChIKey	CVVZHAQTJYVJBN-UHFFFAOYSA-N
Subclass / scaffold	Taxane diterpenoids
PubChem CID	85423125

Computed properties & structure classification

Exact mass (Da)	678.2888	Predicted LogP	3.7378
Predicted TPSA (Å²)	184.1	H-bond donors	0
H-bond acceptors	14	Rotatable bonds	8
Ring count	2	Aromatic rings	0
Fraction Csp³	0.618	Synthetic accessibility score	6.19
QED score	0.205	Lipinski rule violations	2
NPClassifier pathway	Terpenoids	NPClassifier superclass	Diterpenoids
NPClassifier class	Taxane diterpenoids	Parent SMILES	CC(=O)OCC1=CC(OC(C)=O)C2CC(OC(C)=O)C(C)=C(C(OC(C)=O)C(OC(C)=O)=C(C)C(OC(C)=O)CC1OC(C)=O)C2(C)C
Parent formula	C₃₄H₄₆O₁₄	Parent molecular weight	678.728
Specified stereocenters	0	Unspecified stereocenters	6

Structure-derived values from the supplied dataset; not measured batch specifications or experimentally verified activity.

Reported natural occurrence

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

Occurrence records are inherited from the supplied dataset. They do not establish manufacturing origin, batch traceability or independent literature verification. Taxonomic names may include synonyms.

Documents & specifications

Certificate of analysis (COA)	Batch-specific document pending; not available in this preview
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.