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Triterpenoids

Betulafolientriol

白桦烯三醇

PHY-NP-00284 · Natural product research catalog

Catalog numberPHY-NP-00284
CAS number6892-79-1
Molecular formulaC30H52O3
Molecular weight460.743 g/mol
Chemical classTriterpenoids
Main reported sourceBetula costata
Purity / assayMin. 98%
Other purity specifications available on inquiry.

Chemical structure

Chemical structure of Betulafolientriol

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Product information

Betulafolientriol 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,12R,13R,14R,17S)-17-[(2S)-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]phenanthrene-3,12-diol
SMILESCC(=CCC[C@@](C)([C@H]1CC[C@]2([C@@H]1[C@@H](C[C@H]3[C@]2(CCC4[C@@]3(CC[C@H](C4(C)C)O)C)C)O)C)O)C
InChIKeyPYXFVCFISTUSOO-ZEUDUZSSSA-N
Subclass / scaffoldDammarane and Protostane triterpenoids
PubChem CID11048822

Computed properties

Exact mass (Da)460.3916Predicted LogP6.5006
Predicted TPSA (Ų)60.69H-bond donors3
H-bond acceptors3Rotatable bonds4

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

View additional properties & classification
Ring count4
Aromatic rings0
Fraction Csp³0.933
Synthetic accessibility score4.84
QED score0.42
Lipinski rule violations1
NPClassifier pathwayTerpenoids
NPClassifier superclassTriterpenoids
NPClassifier classDammarane and Protostane triterpenoids
Parent 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)C3CC[C@]12C
Parent formulaC30H52O3
Parent molecular weight460.743
Specified stereocenters9
Unspecified stereocenters1

Reported natural occurrence

Main reported sourceBetula costata
Reported source familiesBetulaceae

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

View occurrence records & references
LOTUS / Wikidata speciesBetula costata[2]; Betula fruticosa[2]; Betula pendula[2]; Betula platyphylla[2]; Betula davurica[1]; Betula glandulosa[1]; Betula humilis[1]; Betula middendorffii[1]; Betula pubescens[1]
All reported source familiesBetulaceae[9]
LOTUS species records9
LOTUS reference records8
COCONUT occurrence recordsBetula costata; Betula dahurica; Betula fruticosa; Betula glandulosa; Betula humilis; Betula middendorffii; Betula pendula; Betula platyphylla; Betula platyphylla var. japonica; Betula pubescens
COCONUT organism records10
COCONUT identifierCNP0238948.9

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

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