Triterpenoids

Cabraleadiol monoacetate

3-乙酸南美楝属二醇酯

PHY-NP-00286 · Natural product research catalog

Catalog number	PHY-NP-00286
CAS number	35833-62-6
Molecular formula	C₃₂H₅₄O₄
Molecular weight	502.78 g/mol
Chemical class	Triterpenoids
Main reported source	Commiphora dalzielii
Purity / assay	Min. 98% Other purity specifications available on inquiry.

Chemical structure

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Product information

Cabraleadiol monoacetate 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

IUPAC name	[(3R,5R,8R,9R,10R,13R,14R,17S)-17-[(2S,5S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
SMILES	CC(=O)O[C@@H]1CC[C@@]2([C@H]3CC[C@@H]4[C@H](CC[C@]4([C@@]3(CC[C@H]2C1(C)C)C)C)[C@@]5(CC[C@H](O5)C(C)(C)O)C)C
InChIKey	MYKPKZPRXSYQEQ-QCPMDXGFSA-N
Subclass / scaffold	Dammarane and Protostane triterpenoids
PubChem CID	12019028

Computed properties

Exact mass (Da)	502.4022	Predicted LogP	7.3118
Predicted TPSA (Å²)	55.76	H-bond donors	1
H-bond acceptors	4	Rotatable bonds	3

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

View additional properties & classification

Ring count	5
Aromatic rings	0
Fraction Csp³	0.969
Synthetic accessibility score	4.81
QED score	0.411
Lipinski rule violations	2
NPClassifier pathway	Terpenoids
NPClassifier superclass	Triterpenoids
NPClassifier class	Dammarane and Protostane triterpenoids
Parent SMILES	CC(=O)O[C@@H]1CC[C@]2(C)[C@H]3CC[C@@H]4[C@@H]([C@]5(C)CC[C@@H](C(C)(C)O)O5)CC[C@@]4(C)[C@]3(C)CC[C@H]2C1(C)C
Parent formula	C₃₂H₅₄O₄
Parent molecular weight	502.78
Specified stereocenters	10
Unspecified stereocenters	0

Reported natural occurrence

Main reported source	Commiphora dalzielii
Reported source families	Meliaceae; Burseraceae; Nothofagaceae

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

View occurrence records & references

LOTUS / Wikidata species	Commiphora dalzielii[2]; Aglaia abbreviata[1]; Aglaia elaeagnoidea[1]; Aglaia lawii[1]; Aglaia tomentosa[1]; Commiphora confusa[1]; Nothofagus pumilio[1]
All reported source families	Meliaceae[4]; Burseraceae[2]; Nothofagaceae[1]
LOTUS species records	7
LOTUS reference records	7
COCONUT occurrence records	Aglaia abbreviata; Aglaia elaeagnoidea; Aglaia lawii; Aglaia tomentosa; Cabralea polytricha; Commiphora confusa; Commiphora dalzielii; Nothofagus pumilio
COCONUT organism records	8
COCONUT identifier	CNP0116269.1

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.