(2S)-3-[(1-Oxohexadecyl)oxy]-2-[[(9Z,12Z)-1-oxo-9,12-octadecadien-1-yl]oxy]propyl 6-O-α-D-galactopyranosyl-β-D-galactopyranoside

CAS Registry Number®

145033-48-3
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CAS Name

(2S)-3-[(1-Oxohexadecyl)oxy]-2-[[(9Z,12Z)-1-oxo-9,12-octadecadien-1-yl]oxy]propyl 6-O-α-D-galactopyranosyl-β-D-galactopyranoside

Molecular Formula

C49H88O15

Molecular Mass

917.21

Cite this Page

(2S)-3-[(1-Oxohexadecyl)oxy]-2-[[(9Z,12Z)-1-oxo-9,12-octadecadien-1-yl]oxy]propyl 6-O-α-D-galactopyranosyl-β-D-galactopyranoside.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=145033-48-3 (retrieved 2024-08-19) (CAS RN: 145033-48-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C49H88O15/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-41(52)62-37(34-59-40(51)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2)35-60-48-47(58)45(56)43(54)39(64-48)36-61-49-46(57)44(55)42(53)38(33-50)63-49/h11,13,17-18,37-39,42-50,53-58H,3-10,12,14-16,19-36H2,1-2H3/b13-11-,18-17-/t37-,38-,39-,42+,43+,44+,45+,46-,47-,48-,49+/m1/s1

InChIKey

InChIKey=QZXMUPATKGLZAP-DXLAUQRQSA-N

SMILES

C(O[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@H]2O[C@@H](OC[C@@H](COC(CCCCCCCCCCCCCCC)=O)OC(CCCCCCC/C=C\C/C=C\CCCCC)=O)[C@H](O)[C@@H](O)[C@H]2O

Canonical SMILES

O=C(OCC(OC(=O)CCCCCCCC=CCC=CCCCCC)COC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O)CCCCCCCCCCCCCCC

Other Names for this Substance

  • β-D-Galactopyranoside, (2S)-3-[(1-oxohexadecyl)oxy]-2-[[(9Z,12Z)-1-oxo-9,12-octadecadien-1-yl]oxy]propyl 6-O-α-D-galactopyranosyl-
  • β-D-Galactopyranoside, 3-[(1-oxohexadecyl)oxy]-2-[(1-oxo-9,12-octadecadienyl)oxy]propyl 6-O-α-D-galactopyranosyl-, [S-(Z,Z)]-
  • β-D-Galactopyranoside, (2S)-3-[(1-oxohexadecyl)oxy]-2-[[(9Z,12Z)-1-oxo-9,12-octadecadienyl]oxy]propyl 6-O-α-D-galactopyranosyl-
  • (2S)-3-[(1-Oxohexadecyl)oxy]-2-[[(9Z,12Z)-1-oxo-9,12-octadecadien-1-yl]oxy]propyl 6-O-α-D-galactopyranosyl-β-D-galactopyranoside

Deleted or Replaced CAS Registry Numbers

195818-94-1