Nonactin

CAS Registry Number®

6833-84-7

CAS Name

Nonactin

Molecular Formula

C40H64O12

Molecular Mass

736.93

Cite this Page

Nonactin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=6833-84-7 (retrieved 2024-11-22) (CAS RN: 6833-84-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    147.5 °C

  • Density (2)

    1.11-1.15 g/cm³

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C40H64O12/c1-21-17-29-9-13-34(49-29)26(6)38(42)46-23(3)19-31-11-15-36(51-31)28(8)40(44)48-24(4)20-32-12-16-35(52-32)27(7)39(43)47-22(2)18-30-10-14-33(50-30)25(5)37(41)45-21/h21-36H,9-20H2,1-8H3/t21-,22+,23+,24-,25-,26+,27+,28-,29-,30+,31+,32-,33-,34+,35+,36-

InChIKey

InChIKey=RMIXHJPMNBXMBU-QIIXEHPYSA-N

SMILES

C[C@@H]1[C@@]2(O[C@@](CC2)(C[C@H](C)OC(=O)[C@@H](C)[C@]3(O[C@](CC3)(C[C@@H](C)OC(=O)[C@H](C)[C@@]4(O[C@](C[C@H](C)OC(=O)[C@@H](C)[C@]5(O[C@@](C[C@@H](C)OC1=O)(CC5)[H])[H])(CC4)[H])[H])[H])[H])[H])[H]

Canonical SMILES

O=C1OC(C)CC2OC(CC2)C(C(=O)OC(C)CC3OC(CC3)C(C(=O)OC(C)CC4OC(CC4)C(C(=O)OC(C)CC5OC(CC5)C1C)C)C)C

Other Names for this Substance

  • 4,13,22,31,37,38,39,40-Octaoxapentacyclo[32.2.1.17,10.116,19.125,28]tetracontane-3,12,21,30-tetrone, 2,5,11,14,20,23,29,32-octamethyl-, (1R,2R,5R,7R,10S,11S,14S,16S,19R,20R,23R,25R,28S,29S,32S,34S)-
  • Nonactin
  • 4,13,22,31,37,38,39,40-Octaoxapentacyclo[32.2.1.17,10.116,19.125,28]tetracontane-3,12,21,30-tetrone, 2,5,11,14,20,23,29,32-octamethyl-, [1R-(1R*,2R*,5R*,7R*,10S*,11S*,14S*,16S*,19R*,20R*,23R*,25R*,28S*,29S*,32S*,34S*)]-
  • 4,13,22,31,37,38,39,40-Octaoxapentacyclo[32.2.1.17,10.116,19.125,28]tetracontane, nonactin deriv.
  • (1R,2R,5R,7R,10S,11S,14S,16S,19R,20R,23R,25R,28S,29S,32S,34S)-2,5,11,14,20,23,29,32-Octamethyl-4,13,22,31,37,38,39,40-octaoxapentacyclo[32.2.1.17,10.116,19.125,28]tetracontane-3,12,21,30-tetrone

View All

Deleted or Replaced CAS Registry Numbers

1400-56-2, 6945-66-0, 26082-94-0

CAS INSIGHTSTM
Targeted protein degrader structure, illustration