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Chemical structure of 20(R)-Notoginsenoside-R2
Triterpenoids

20(R)-Notoginsenoside-R2

20(R)-三七皂苷R2

PHY-NP-00340 · Natural product research catalog

Catalog numberPHY-NP-00340
CAS number948046-15-9
Molecular formulaC41H70O13
Molecular weight770.998 g/mol
Chemical classTriterpenoids
Purity / assayConfirmed in quotation and batch COA

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Product information

20(R)-Notoginsenoside-R2 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(2S,3R,4S,5R)-2-[(2R,3R,4S,5S,6R)-2-[[(3S,5R,6S,8R,9R,10R,12R,13R,14R,17S)-3,12-dihydroxy-17-[(2R)-2-hydroxy-6-methylhept-5-en-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-6-yl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxyoxane-3,4,5-triol
SMILESCC(=CCC[C@](C)([C@H]1CC[C@@]2([C@@H]1[C@@H](C[C@H]3[C@]2(C[C@@H]([C@@H]4[C@@]3(CC[C@@H](C4(C)C)O)C)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O[C@H]6[C@@H]([C@H]([C@@H](CO6)O)O)O)C)O)C)O)C
InChIKeyFNIRVWPHRMMRQI-RFMRREALSA-N
Subclass / scaffoldDammarane and Protostane triterpenoids;皂苷/苷
PubChem CID16757287

Computed properties & structure classification

Exact mass (Da)770.4816Predicted LogP1.7589
Predicted TPSA (Ų)218.99H-bond donors9
H-bond acceptors13Rotatable bonds9
Ring count6Aromatic rings0
Fraction Csp³0.951Synthetic accessibility score5.98
QED score0.121Lipinski rule violations3
NPClassifier pathwayTerpenoidsNPClassifier superclassTriterpenoids
NPClassifier classDammarane and Protostane triterpenoidsParent SMILESCC(C)=CCC[C@@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)C[C@]12C
Parent formulaC41H70O13Parent molecular weight770.998
Specified stereocenters20Unspecified stereocenters0

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

Reported natural occurrence

Main reported sourcePanax ginseng
LOTUS species records0
LOTUS reference records0
COCONUT occurrence recordsPanax ginseng
COCONUT organism records1
COCONUT identifierCNP0292553.2

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.

Structure resources

Documents & specifications

Certificate of analysis (COA)Batch-specific document pending; not available in this preview
Safety data sheet (SDS)Not yet published
Storage / solubilityProduct-specific conditions to be confirmed
ShippingConfirmed with the quotation

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