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Product Overview

Product Code

TRC-H817400

CAS Number

85999-40-2

Product Format

Neat

Molecular Formula

C30 H48 O4

Molecular Weight

472.70

Product Categories

Bioactive small molecules, Additional Cancer Bioactive Molecules, TRC

Product Type

Bioactive Small Molecule

Documentation

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Product Information

Chemical Data

Analyte Name

23-Hydroxybetulinic Acid

CAS Number

85999-40-2

Molecular Formula

C30 H48 O4

Molecular Weight

472.70

Accurate Mass

472.3553

SMILES

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

InChI

InChI=1S/C30H48O4/c1-18(2)19-9-14-30(25(33)34)16-15-28(5)20(24(19)30)7-8-22-26(3)12-11-23(32)27(4,17-31)21(26)10-13-29(22,28)6/h19-24,31-32H,1,7-17H2,2-6H3,(H,33,34)/t19-,20+,21+,22+,23-,24+,26-,27-,28+,29+,30-/m0/s1

IUPAC

(1R,3aS,5aR,5bR,7aR,8R,9S,11aR,11bR,13aR,13bR)-9-hydroxy-8-(hydroxymethyl)-5a,5b,8,11a-tetramethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylic acid

Product Data

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

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23-Hydroxybetulinic Acid

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