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Merck
CN

92648

Betulin

analytical standard

Synonym(s):

Betulinic alcohol, Betulinol, Betulol, Lup-20(29)-ene-3β,28-diol, Trochol

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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:
Technical Service
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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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pictograms

Health hazard

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

SKUGTIN
92648-50MG04061833270073