9-Undecenoic acid, 11-[(2S,3R)-3-pentyl-2-oxiranyl]-, 1,1′,1′′-(1,2,3-propanetriyl) ester, (9Z,9′Z,9′′Z)-

CAS Registry Number®

20449-88-1

CAS Name

9-Undecenoic acid, 11-[(2S,3R)-3-pentyl-2-oxiranyl]-, 1,1′,1′′-(1,2,3-propanetriyl) ester, (9Z,9′Z,9′′Z)-

Molecular Formula

C57H98O9

Molecular Mass

927.38

Cite this Page

9-Undecenoic acid, 11-[(2S,3R)-3-pentyl-2-oxiranyl]-, 1,1′,1′′-(1,2,3-propanetriyl) ester, (9Z,9′Z,9′′Z)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=20449-88-1 (retrieved 2025-08-16) (CAS RN: 20449-88-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    15.0 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C57H98O9/c1-4-7-28-37-49-52(64-49)40-31-22-16-10-13-19-25-34-43-55(58)61-46-48(63-57(60)45-36-27-21-15-12-18-24-33-42-54-51(66-54)39-30-9-6-3)47-62-56(59)44-35-26-20-14-11-17-23-32-41-53-50(65-53)38-29-8-5-2/h22-24,31-33,48-54H,4-21,25-30,34-47H2,1-3H3/b31-22-,32-23-,33-24-/t49-,50-,51-,52+,53+,54+/m1/s1

InChIKey

InChIKey=VUVSVEQLMRNDMO-GNXDZCFSSA-N

SMILES

C(/C=C\CCCCCCCC(OC(COC(CCCCCCC/C=C\C[C@H]1[C@@H](CCCCC)O1)=O)COC(CCCCCCC/C=C\C[C@H]2[C@@H](CCCCC)O2)=O)=O)[C@H]3[C@@H](CCCCC)O3

Canonical SMILES

O=C(OCC(OC(=O)CCCCCCCC=CCC1OC1CCCCC)COC(=O)CCCCCCCC=CCC2OC2CCCCC)CCCCCCCC=CCC3OC3CCCCC

Other Names for this Substance

  • 9-Undecenoic acid, 11-[(2S,3R)-3-pentyl-2-oxiranyl]-, 1,1′,1′′-(1,2,3-propanetriyl) ester, (9Z,9′Z,9′′Z)-
  • Oleic acid, 12,13-epoxy-, 1,2,3-propanetriyl ester, (12S,13R)-(+)-
  • 9-Undecenoic acid, 11-(3-pentyloxiranyl)-, 1,2,3-propanetriyl ester, stereoisomer
  • 9-Undecenoic acid, 11-[(2S,3R)-3-pentyloxiranyl]-, 1,2,3-propanetriyl ester, (9Z,9′Z,9′′Z)-
  • Glycerol, tris((12S,13R)-(+)-12,13-epoxyoleate)

View All

Deleted or Replaced CAS Registry Numbers

1111-51-9, 26291-86-1

CAS INSIGHTSTM
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