rel-(1R,2S)-1-Methyl-2-[[(9Z)-1-oxo-9-hexadecen-1-yl]oxy]propyl (11E)-11-octadecenoate

CAS Registry Number®

29066-43-1

CAS Name

rel-(1R,2S)-1-Methyl-2-[[(9Z)-1-oxo-9-hexadecen-1-yl]oxy]propyl (11E)-11-octadecenoate

Molecular Formula

C38H70O4

Molecular Mass

590.96

Cite this Page

rel-(1R,2S)-1-Methyl-2-[[(9Z)-1-oxo-9-hexadecen-1-yl]oxy]propyl (11E)-11-octadecenoate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=29066-43-1 (retrieved 2024-12-22) (CAS RN: 29066-43-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Density (1)

    0.8945 g/cm³ @ Temp: 20 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1/C38H70O4/c1-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-38(40)42-36(4)35(3)41-37(39)33-31-29-27-25-23-21-18-16-14-12-10-8-6-2/h15-18,35-36H,5-14,19-34H2,1-4H3/b17-15+,18-16-/t35-,36+/s2

InChIKey

InChIKey=DPQCZNIGGNJGTD-ARIMWTEDNA-N

SMILES

[C@H]([C@H](OC(CCCCCCC/C=C\CCCCCC)=O)C)(OC(CCCCCCCCC/C=C/CCCCCC)=O)C

Canonical SMILES

O=C(OC(C)C(OC(=O)CCCCCCCCCC=CCCCCCC)C)CCCCCCCC=CCCCCCC

Other Names for this Substance

  • 11-Octadecenoic acid, (1R,2S)-1-methyl-2-[[(9Z)-1-oxo-9-hexadecen-1-yl]oxy]propyl ester, (11E)-rel-
  • Coixenolide
  • 11-Octadecenoic acid, 2-hydroxy-1-methylpropyl ester 9-hexadecenoate, (Z,E)-
  • 11-Octadecenoic acid, 1-methyl-2-[(1-oxo-9-hexadecenyl)oxy]propyl ester, [R*,S*-(Z,E)]-
  • 11-Octadecenoic acid, (1R,2S)-1-methyl-2-[[(9Z)-1-oxo-9-hexadecenyl]oxy]propyl ester, (11E)-rel-

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CAS INSIGHTSTM
Pile of blue, green, and white color of capsule pills with modern design light.