Trinactin

CAS Registry Number®

7561-71-9

CAS Name

Trinactin

Molecular Formula

C43H70O12

Molecular Mass

779.01

Cite this Page

Trinactin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=7561-71-9 (retrieved 2024-12-23) (CAS RN: 7561-71-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    67-68 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C43H70O12/c1-9-29-21-33-13-17-36(50-33)25(5)40(44)48-24(4)20-32-12-16-37(49-32)26(6)41(45)53-30(10-2)22-34-14-18-39(51-34)28(8)43(47)55-31(11-3)23-35-15-19-38(52-35)27(7)42(46)54-29/h24-39H,9-23H2,1-8H3/t24-,25-,26+,27+,28-,29+,30+,31-,32-,33+,34+,35-,36-,37+,38+,39-/m0/s1

InChIKey

InChIKey=DFQMKYUSAALDDY-MQEBUAKTSA-N

SMILES

C(C)[C@H]1C[C@]2(O[C@](CC2)([C@@H](C)C(=O)O[C@H](CC)C[C@@]3(O[C@@](CC3)([C@H](C)C(=O)O[C@@H](C)C[C@]4(O[C@@]([C@@H](C)C(=O)O[C@H](CC)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(CC)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, 5,14,23-triethyl-2,11,20,29,32-pentamethyl-, (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, 5,14,23-triethyl-2,11,20,29,32-pentamethyl-
  • Nonactin, 5,14,23-tridemethyl-5,14,23-triethyl-
  • (1R,2R,5R,7R,10S,11S,14S,16S,19R,20R,23R,25R,28S,29S,32S,34S)-5,14,23-Triethyl-2,11,20,29,32-pentamethyl-4,13,22,31,37,38,39,40-octaoxapentacyclo[32.2.1.17,10.116,19.125,28]tetracontane-3,12,21,30-tetrone
  • Trinactin

View All

Deleted or Replaced CAS Registry Numbers

32576-00-4

CAS INSIGHTSTM
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