Sodium nigericin

CAS Registry Number®

28643-80-3
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CAS Name

Sodium nigericin

Molecular Formula

C40H68O11.Na

Cite this Page

Sodium nigericin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=28643-80-3 (retrieved 2024-05-03) (CAS RN: 28643-80-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

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);/t21-,22-,23-,24+,25+,26+,27+,28+,29+,30+,31+,32+,33+,34-,35+,37-,38-,39-,40+;/m0./s1

InChIKey

InChIKey=JDJBSPPSXYLDJN-PDEFJWSRSA-N

SMILES

C[C@H]1[C@]2(O[C@@](C)(C1)[C@@]3(O[C@@](C)(CC3)[C@@]4(O[C@](C[C@@H]4C)([C@]5(O[C@](CO)(O)[C@H](C)C[C@@H]5C)[H])[H])[H])[H])O[C@H](C[C@@H]6O[C@@]([C@H](C(O)=O)C)([C@@H](C)CC6)[H])C[C@@H](OC)[C@H]2C.[Na]

Canonical SMILES

[Na].O=C(O)C(C)C1OC(CCC1C)CC2OC3(OC(C)(CC3C)C4OC(C)(CC4)C5OC(CC5C)C6OC(O)(CO)C(C)CC6C)C(C)C(OC)C2

Other Names for this Substance

  • Nigericin, sodium salt (1:1)
  • Nigericin, monosodium salt
  • 1,6-Dioxaspiro[4.5]decane, nigericin deriv.
  • Nigericin sodium salt
  • Sodium nigericin

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