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About This Item
Empirical Formula (Hill Notation):
C30H50O2
CAS Number:
Molecular Weight:
442.72
NACRES:
NA.24
PubChem Substance ID:
UNSPSC Code:
85151701
EC Number:
207-475-5
MDL number:
grade
analytical standard
Quality Level
assay
≥97.5% (TLC)
shelf life
limited shelf life, expiry date on the label
technique(s)
HPLC: suitable, gas chromatography (GC): suitable
mp
256-257 °C (lit.)
application(s)
food and beverages
format
neat
SMILES string
[H][C@]12CC[C@]3([H])[C@@]4(C)CC[C@H](O)C(C)(C)[C@]4([H])CC[C@@]3(C)[C@]1(C)CC[C@@]5(CO)CC[C@@H](C(C)=C)[C@]25[H]
InChI
1S/C30H50O2/c1-19(2)20-10-15-30(18-31)17-16-28(6)21(25(20)30)8-9-23-27(5)13-12-24(32)26(3,4)22(27)11-14-29(23,28)7/h20-25,31-32H,1,8-18H2,2-7H3/t20-,21+,22-,23+,24-,25+,27-,28+,29+,30+/m0/s1
InChI key
FVWJYYTZTCVBKE-ROUWMTJPSA-N
General description
Betulin is a naturally occurring pentacyclic triterpene alcohol with a lupane skeleton, found in large quantities in the bark of white birch. It may possess anticancer and antiviral properties.
Application
Refer to the product′s Certificate of Analysis for more information on a suitable instrument technique. Contact Technical Service for further support.
Packaging
Bottomless glass bottle. Contents are inside inserted fused cone.
Other Notes
This compound is commonly found in plants of the genus: salvia sambucus
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signalword
Warning
hcodes
Hazard Classifications
STOT SE 2
target_organs
Eyes,Central nervous system
Storage Class
11 - Combustible Solids
wgk
WGK 3
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Glycopolymers bearing galactose and betulin: Synthesis, encapsulation, and lectin recognition
Ma Z, et al.
Biomacromolecules, 18, 3812-3818 (2017)
Pharmacological properties of the ubiquitous natural product betulin
Sami A, et al.
European Journal of Pharmaceutical Sciences, 29, 1-13 (2006)
Miroslav Pospíšil et al.
Journal of molecular modeling, 18(1), 367-376 (2011-05-04)
Ab initio and molecular simulation methods were used in calculations of the neutral individual betulin molecule, and molecular simulations were used to optimize the betulin molecule immersed in various amounts of water. Individual betulin was optimized in different force fields
Global Trade Item Number
| SKU | GTIN |
|---|---|
| 92648-50MG | 04061833270073 |
