Triterpenoids

2,3,24-Trihydroxy-12-ursen-28-oic acid

2α,3α,24-三羟基乌苏烷-12-烯-28-酸

PHY-NP-01517 · Natural product research catalog

Catalog number	PHY-NP-01517
CAS number	89786-83-4
Molecular formula	C₃₀H₄₈O₅
Molecular weight	488.709 g/mol
Chemical class	Triterpenoids
Main reported source	Actinidia polygama
Purity / assay	Min. 98% Other purity specifications available on inquiry.

Chemical structure

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Product information

2,3,24-Trihydroxy-12-ursen-28-oic acid 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	(1S,2R,4aS,6aR,6aS,6bR,8aR,9S,10S,11R,12aR,14bS)-10,11-dihydroxy-9-(hydroxymethyl)-1,2,6a,6b,9,12a-hexamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid
SMILES	C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(C[C@H]([C@H]([C@]5(C)CO)O)O)C)C)[C@@H]2[C@H]1C)C)C(=O)O
InChIKey	JXSVIVRDWWRQRT-UMCOSQRYSA-N
Subclass / scaffold	Ursane and Taraxastane triterpenoids
PubChem CID	12308659

Computed properties

Exact mass (Da)	488.3502	Predicted LogP	5.0327
Predicted TPSA (Å²)	97.99	H-bond donors	4
H-bond acceptors	4	Rotatable bonds	2

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

View additional properties & classification

Ring count	5
Aromatic rings	0
Fraction Csp³	0.9
Synthetic accessibility score	5.04
QED score	0.409
Lipinski rule violations	1
NPClassifier pathway	Terpenoids
NPClassifier superclass	Triterpenoids
NPClassifier class	Ursane and Taraxastane triterpenoids
Parent SMILES	C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@@H](O)[C@](C)(CO)[C@@H]5CC[C@]43C)[C@H]12
Parent formula	C₃₀H₄₈O₅
Parent molecular weight	488.709
Specified stereocenters	12
Unspecified stereocenters	0

Reported natural occurrence

Main reported source	Actinidia polygama
Reported source families	Rosaceae; Actinidiaceae; Lamiaceae

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

View occurrence records & references

LOTUS / Wikidata species	Actinidia polygama[2]; Actinidia chinensis[1]; Prunella vulgaris[1]; Prunus africana[1]; Prunus serrula[1]; Prunus serrulata[1]; Prunus serrulata f. spontanea[1]; Prunus serrulata var. spontanea[1]; Rosa chinensis var. spontanea[1]; Vitex altissima[1]
All reported source families	Rosaceae[6]; Actinidiaceae[2]; Lamiaceae[2]
LOTUS species records	10
LOTUS reference records	7
COCONUT occurrence records	Aconitum lucidusculum; Actinidia chinensis; Actinidia polygama; Dermocybe splendida; Prunella vulgaris; Prunus africana; Prunus serrula; Prunus serrulata; Prunus serrulata f. spontanea; Prunus serrulata var. spontanea; Rosa chinensis var. spontanea; Salmacis sphaeroides; Trifolium hybrid; Vitex altissima
COCONUT organism records	14
COCONUT identifier	CNP0380608.9

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

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