Third International Standard for Nystatin

Analyte Name

Nystatin

CAS Number

1400-61-9

Molecular Formula

C47H75NO17

Molecular Weight

926.09

Accurate Mass

925.5

Flash Point

-20

SMILES

O=C1O[C@@H](C)[C@H](C)[C@H](O)[C@@H](C)/C=C/C=C/CC/C=C/C=C/C=C/C=C/C(O[C@@H]2[C@@H](O)[C@@H](N)[C@H](O)[C@@H](C)O2)CC3O[C@](CC(O)C3C(O)=O)(O)CC(O)C(O)CCC(O)CC(O)CC(O)C1

InChI

InChI=1S/C47H75NO17/c1-27-17-15-13-11-9-7-5-6-8-10-12-14-16-18-34(64-46-44(58)41(48)43(57)30(4)63-46)24-38-40(45(59)60)37(54)26-47(61,65-38)25-36(53)35(52)20-19-31(49)21-32(50)22-33(51)23-39(55)62-29(3)28(2)42(27)56/h5-6,8,10-18,27-38,40-44,46,49-54,56-58,61H,7,9,19-26,48H2,1-4H3,(H,59,60)/b6-5+,10-8+,13-11+,14-12+,17-15+,18-16+/t27?,28?,29?,30?,31?,32?,33?,34?,35?,36?,37?,38?,40?,41-,42+,43+,44-,46+,47+/m0/s1

IUPAC

(1S,15S,16R,17R,18S,19E,21E,25E,27E,29E,31E)-33-(((2S,3S,4S,5S,6R)-4-amino-3,5-dihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-1,3,4,7,9,11,17,37-octahydroxy-15,16,18-trimethyl-13-oxo-14,39-dioxabicyclo[33.3.1]nonatriaconta-19,21,25,27,29,31-hexaene-36-carboxylic acid

Alternate CAS Number

A1 is 34786-70-4

Storage Temperature

Freezer

Shipping Temperature

Room Temperature

Country of Origin

FRANCE

Tariff Code

29329900

Product Type

API

Product Format

Neat

API Family

Nystatin

Analytical Method

Monograph only