Dinactin

CAS Registry Number®

20261-85-2

CAS Name

Dinactin

Molecular Formula

C42H68O12

Molecular Mass

764.98

Cite this Page

Dinactin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=20261-85-2 (retrieved 2024-12-23) (CAS RN: 20261-85-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    66.5-67 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C42H68O12/c1-9-29-21-33-13-17-35(51-33)25(5)39(43)47-24(4)20-32-12-16-38(50-32)28(8)42(46)54-30(10-2)22-34-14-18-36(52-34)26(6)40(44)48-23(3)19-31-11-15-37(49-31)27(7)41(45)53-29/h23-38H,9-22H2,1-8H3/t23-,24-,25-,26-,27+,28+,29+,30+,31-,32-,33+,34+,35-,36-,37+,38+/m0/s1

InChIKey

InChIKey=ZBDGIMZKOJALMU-HXUSMMTHSA-N

SMILES

C(C)[C@@H]1C[C@@]2(O[C@@](CC2)([C@H](C)C(=O)O[C@@H](C)C[C@]3(O[C@](CC3)([C@@H](C)C(=O)O[C@H](CC)C[C@@]4(O[C@]([C@H](C)C(=O)O[C@@H](C)C[C@]5(O[C@@]([C@@H](C)C(=O)O1)(CC5)[H])[H])(CC4)[H])[H])[H])[H])[H])[H]

Canonical SMILES

O=C1OC(C)CC2OC(CC2)C(C(=O)OC(CC)CC3OC(CC3)C(C(=O)OC(C)CC4OC(CC4)C(C(=O)OC(CC)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, 5,23-diethyl-2,11,14,20,29,32-hexamethyl-, (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-3,12,21,30-tetrone, 5,23-diethyl-2,11,14,20,29,32-hexamethyl-
  • Nonactin, 5,23-didemethyl-5,23-diethyl-
  • 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)-5,23-Diethyl-2,11,14,20,29,32-hexamethyl-4,13,22,31,37,38,39,40-octaoxapentacyclo[32.2.1.17,10.116,19.125,28]tetracontane-3,12,21,30-tetrone

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Deleted or Replaced CAS Registry Numbers

11029-01-9

CAS INSIGHTSTM
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