Cerebroside A

CAS Registry Number®

115681-40-8
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CAS Name

Cerebroside A

Molecular Formula

C41H75NO9

Molecular Mass

726.04

Cite this Page

Cerebroside A.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=115681-40-8 (retrieved 2024-09-20) (CAS RN: 115681-40-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    170-173 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C41H75NO9/c1-4-6-8-10-12-13-14-15-16-18-20-24-29-35(45)40(49)42-33(31-50-41-39(48)38(47)37(46)36(30-43)51-41)34(44)28-25-21-23-27-32(3)26-22-19-17-11-9-7-5-2/h24-25,27-29,33-39,41,43-48H,4-23,26,30-31H2,1-3H3,(H,42,49)/b28-25+,29-24+,32-27+/t33-,34+,35+,36+,37+,38-,39+,41+/m0/s1

InChIKey

InChIKey=SUBYBSQARMSYNW-XCEJTAPFSA-N

SMILES

O(C[C@H](NC([C@@H](/C=C/CCCCCCCCCCCC)O)=O)[C@@H](/C=C/CC/C=C(/CCCCCCCCC)\C)O)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O

Canonical SMILES

O=C(NC(COC1OC(CO)C(O)C(O)C1O)C(O)C=CCCC=C(C)CCCCCCCCC)C(O)C=CCCCCCCCCCCCC

Other Names for this Substance

  • 3-Hexadecenamide, N-[(1S,2R,3E,7E)-1-[(β-D-glucopyranosyloxy)methyl]-2-hydroxy-8-methyl-3,7-heptadecadien-1-yl]-2-hydroxy-, (2R,3E)-
  • 3-Hexadecenamide, N-[1-[(β-D-glucopyranosyloxy)methyl]-2-hydroxy-8-methyl-3,7-heptadecadienyl]-2-hydroxy-, [1S-[1R*(2S,3E),2S*,3E,7E]]-
  • 3-Hexadecenamide, N-[(1S,2R,3E,7E)-1-[(β-D-glucopyranosyloxy)methyl]-2-hydroxy-8-methyl-3,7-heptadecadienyl]-2-hydroxy-, (2R,3E)-
  • (2R,3E)-N-[(1S,2R,3E,7E)-1-[(β-D-Glucopyranosyloxy)methyl]-2-hydroxy-8-methyl-3,7-heptadecadien-1-yl]-2-hydroxy-3-hexadecenamide
  • Cerebroside PO 8

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