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Product Overview

Product Code

TRC-E325645

CAS Number

1029890-89-8

Product Format

Neat

Molecular Formula

C34H51N7O15 . HCl

Molecular Weight

834.3

Product Categories

TRC, Pharmaceutical Toxicology Reference Materials , Impurity Reference Materials

Alternate CAS Number

79411-15-7 Free base form

Documentation

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Product Information

Chemical Data

Analyte Name

1-[(4R,5R)-4,5-Dihydroxy-L-ornithine]-Echinocandin B Hydrochloride

CAS Number

1029890-89-8

Molecular Formula

C34H51N7O15 . HCl

Molecular Weight

834.3

Accurate Mass

833.321

SMILES

Cl.C[C@@H](O)[C@@H]1NC(=O)C(NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)C(NC(=O)[C@@H](N)C[C@@H](O)[C@@H](O)NC(=O)[C@@H]3[C@@H](O)[C@@H](C)CN3C1=O)[C@@H](C)O)[C@H](O)[C@@H](O)c4ccc(O)cc4

InChI

InChI=1S/C34H51N7O15.ClH/c1-12-10-41-24(25(12)47)32(54)39-30(52)20(46)9-18(35)28(50)36-21(13(2)42)33(55)40-11-17(45)8-19(40)29(51)38-23(31(53)37-22(14(3)43)34(41)56)27(49)26(48)15-4-6-16(44)7-5-15;/h4-7,12-14,17-27,30,42-49,52H,8-11,35H2,1-3H3,(H,36,50)(H,37,53)(H,38,51)(H,39,54);1H/t12-,13+,14+,17+,18-,19-,20+,21-,22-,23-,24-,25-,26-,27-,30+;/m0./s1

Alternate CAS Number

79411-15-7 Free base form

Product Data

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

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Product Overview

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Chemical Data

Product Data

Product citations

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1-​[(4R,​5R)​-​4,​5-​Dihydroxy-​L-​ornithine]​-Echinocandin B Hydrochloride

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