Esterastin

CAS Registry Number®

67655-93-0

CAS Name

Esterastin

Molecular Formula

C28H46N2O6

Molecular Mass

506.67

Cite this Page

Esterastin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=67655-93-0 (retrieved 2024-11-26) (CAS RN: 67655-93-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C28H46N2O6/c1-4-6-8-10-11-12-13-14-15-17-22(35-28(34)24(20-26(29)32)30-21(3)31)19-25-23(27(33)36-25)18-16-9-7-5-2/h11-12,14-15,22-25H,4-10,13,16-20H2,1-3H3,(H2,29,32)(H,30,31)

InChIKey

InChIKey=JKNGELGDDBUFHG-UHFFFAOYSA-N

SMILES

C(CCCCC)C1C(CC(OC(C(CC(N)=O)NC(C)=O)=O)CC=CCC=CCCCCC)OC1=O

Canonical SMILES

O=C(N)CC(NC(=O)C)C(=O)OC(CC=CCC=CCCCCC)CC1OC(=O)C1CCCCCC

Other Names for this Substance

  • L-Asparagine, N2-acetyl-, (1S,3Z,6Z)-1-[[(2S,3S)-3-hexyl-4-oxo-2-oxetanyl]methyl]-3,6-dodecadien-1-yl ester
  • L-Asparagine, N2-acetyl-, 1-[(3-hexyl-4-oxo-2-oxetanyl)methyl]-3,6-dodecadienyl ester, [2S-[2α(1R*,3Z,6Z),3β]]-
  • L-Asparagine, N2-acetyl-, (1S,3Z,6Z)-1-[[(2S,3S)-3-hexyl-4-oxo-2-oxetanyl]methyl]-3,6-dodecadienyl ester
  • Esterastin

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