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Product Overview

Product Code

TRC-B330240

CAS Number

473-98-3

Product Format

Neat

Molecular Formula

C30 H50 O2

Molecular Weight

442.72

Product Categories

TRC, Additional pharmaceutical toxicology reference materials, Additional pharmaceutical toxicology reference materials, Phytochemical Reference Materials and Research Tools, Apoptosis, Additional pharmaceutical toxicology research materials, Anti-HIV agents

Product Type

Bioactive Small Molecule

Purity

>95% (HPLC)

Documentation

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Product Information

Chemical Data

Analyte Name

Betulin

CAS Number

473-98-3

Molecular Formula

C30 H50 O2

Molecular Weight

442.72

Accurate Mass

442.3811

SMILES

CC(=C)[C@@H]1CC[C@]2(CO)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12

InChI

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

IUPAC

(1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-3a-(hydroxymethyl)-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-ol

Product Data

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

Purity

>95% (HPLC)

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