Valilactone

CAS Registry Number®

113276-96-3
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CAS Name

Valilactone

Molecular Formula

C22H39NO5

Molecular Mass

397.55

Cite this Page

Valilactone.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=113276-96-3 (retrieved 2024-05-20) (CAS RN: 113276-96-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    57-58 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C22H39NO5/c1-5-7-9-11-13-18-19(28-21(18)25)14-17(12-10-8-6-2)27-22(26)20(16(3)4)23-15-24/h15-20H,5-14H2,1-4H3,(H,23,24)/t17-,18-,19-,20-/m0/s1

InChIKey

InChIKey=WWGVIIVMPMBQFV-MUGJNUQGSA-N

SMILES

C(CCCCC)[C@H]1[C@H](C[C@@H](OC([C@@H](NC=O)C(C)C)=O)CCCCC)OC1=O

Canonical SMILES

O=CNC(C(=O)OC(CCCCC)CC1OC(=O)C1CCCCCC)C(C)C

Other Names for this Substance

  • L-Valine, N-formyl-, (1S)-1-[[(2S,3S)-3-hexyl-4-oxo-2-oxetanyl]methyl]hexyl ester
  • L-Valine, N-formyl-, 1-[(3-hexyl-4-oxo-2-oxetanyl)methyl]hexyl ester, [2S-[2α(R*),3β]]-
  • Valilactone
  • (-)-Valilactone

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