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Steroids

Bufarenogin

异沙蟾毒精

PHY-NP-10702 · Natural product research catalog

Catalog numberPHY-NP-10702
CAS number17008-65-0
Molecular formulaC24H32O6
Molecular weight416.514 g/mol
Chemical classSteroids
Main reported sourceArtemisia oranensis
Purity / assayMin. 98%
Other purity specifications available on inquiry.

Chemical structure

Chemical structure of Bufarenogin

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Product information

Bufarenogin is listed in the Steroids 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 name5-[(3S,5R,8R,9S,10S,12S,13S,14S,17R)-3,12,14-trihydroxy-10,13-dimethyl-11-oxo-2,3,4,5,6,7,8,9,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pyran-2-one
SMILESC[C@]12CC[C@@H](C[C@H]1CC[C@@H]3[C@@H]2C(=O)[C@H]([C@]4([C@@]3(CC[C@@H]4C5=COC(=O)C=C5)O)C)O)O
InChIKeySOGONHOGEFLVPE-PUVOGLICSA-N
Subclass / scaffoldBufadienolides
PubChem CID167607

Computed properties

Exact mass (Da)416.2199Predicted LogP2.3917
Predicted TPSA (Ų)107.97H-bond donors3
H-bond acceptors6Rotatable bonds1

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

View additional properties & classification
Ring count5
Aromatic rings1
Fraction Csp³0.75
Synthetic accessibility score4.86
QED score0.649
Lipinski rule violations0
NPClassifier pathwayTerpenoids
NPClassifier superclassSteroids
NPClassifier classBufadienolides
Parent SMILESC[C@]12CC[C@H](O)C[C@H]1CC[C@@H]1[C@@H]2C(=O)[C@@H](O)[C@]2(C)[C@@H](c3ccc(=O)oc3)CC[C@]12O
Parent formulaC24H32O6
Parent molecular weight416.514
Specified stereocenters9
Unspecified stereocenters0

Reported natural occurrence

Main reported sourceArtemisia oranensis

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

View occurrence records & references
LOTUS species records0
LOTUS reference records0
COCONUT occurrence recordsArtemisia oranensis; Aruncus dioicus; Bufo bufo; Buxus sempervirens; Cabucala madagascariensis; Centaurea amara; Cortinarius rubellus; Cupressus macrocarpa; Dysoxylum lenticellatum; Gavia immer; Halimeda macroloba; Haplopappus venetus; Kochia trichophylla; Lecanora conizaeoides; Lytanthus salicinus; Phebalium ozothamnoides; Piper futokadsura; Pleurotus citrinopileatus; Potentilla multifida; Rhaponticum carthamoides; Saururus cernuus; Streptomyces plumbeus; Strychnos fendleri; Vicia villosa; Vitex megapotamica
COCONUT organism records25
COCONUT identifierCNP0276504.1

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 / solubilityProduct-specific conditions to be confirmed
ShippingConfirmed with the quotation

Request applicable documentation and handling information before ordering or use.