NIGERICIN SODIUM

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C40H67O11.Na
Molecular Weight	746.9431
Optical Activity	UNSPECIFIED
Defined Stereocenters	19 / 19
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[Na+].[H][C@@]1(C[C@H](C)[C@@]([H])(O1)[C@]2(C)CC[C@@]([H])(O2)[C@]3(C)C[C@@H](C)[C@]4(O3)O[C@]([H])(C[C@@]5([H])CC[C@H](C)[C@@]([H])(O5)[C@@H](C)C([O-])=O)C[C@@H](OC)[C@H]4C)[C@@]6([H])O[C@@](O)(CO)[C@H](C)C[C@@H]6C

InChI

InChIKey=MOYOTUKECQMGHE-PDEFJWSRSA-M

InChI=1S/C40H68O11.Na/c1-21-11-12-28(46-33(21)26(6)36(42)43)17-29-18-30(45-10)27(7)40(48-29)25(5)19-38(9,51-40)32-13-14-37(8,49-32)35-23(3)16-31(47-35)34-22(2)15-24(4)39(44,20-41)50-34;/h21-35,41,44H,11-20H2,1-10H3,(H,42,43);/q;+1/p-1/t21-,22-,23-,24+,25+,26+,27+,28+,29+,30+,31+,32+,33+,34-,35+,37-,38-,39-,40+;/m0./s1

HIDE SMILES / InChI

Molecular Formula	Na
Molecular Weight	22.9898
Charge	1
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Molecular Formula	C40H67O11
Molecular Weight	723.9534
Charge	-1
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	19 / 19
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 03:22:53 UTC 2023` Edited by `admin` on `Sat Dec 16 03:22:53 UTC 2023`
Record UNII	DGN38HI976
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

NIGERICIN SODIUM

Common Name

English

NIGERICIN SODIUM SALT

Common Name

English

NIGERICIN SODIUM SALT [MI]

Common Name

English

NSC-292567

Code

English

NIGERICIN, SODIUM SALT (1:1)

Common Name

English

SODIUM NIGERICIN

Common Name

English

NIGERICIN, MONOSODIUM SALT

Common Name

English

Code System Code Type Description

CAS

28643-80-3