Soyacerebroside I

CAS Registry Number®

114297-20-0

CAS Name

Soyacerebroside I

Molecular Formula

C40H75NO9

Molecular Mass

714.02

Cite this Page

Soyacerebroside I.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=114297-20-0 (retrieved 2024-11-22) (CAS RN: 114297-20-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    192-197 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C40H75NO9/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-33(43)32(31-49-40-38(47)37(46)36(45)35(30-42)50-40)41-39(48)34(44)29-27-25-23-21-18-16-14-12-10-8-6-4-2/h19-20,26,28,32-38,40,42-47H,3-18,21-25,27,29-31H2,1-2H3,(H,41,48)/b20-19+,28-26+/t32-,33+,34+,35+,36+,37-,38+,40+/m0/s1

InChIKey

InChIKey=HOMYIYLRRDTKAA-HIMJKWBMSA-N

SMILES

O(C[C@H](NC([C@@H](CCCCCCCCCCCCCC)O)=O)[C@@H](/C=C/CC/C=C/CCCCCCCCC)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=CCCCCCCCCC)C(O)CCCCCCCCCCCCCC

Other Names for this Substance

  • Hexadecanamide, N-[(1S,2R,3E,7E)-1-[(β-D-glucopyranosyloxy)methyl]-2-hydroxy-3,7-heptadecadien-1-yl]-2-hydroxy-, (2R)-
  • Hexadecanamide, N-[1-[(β-D-glucopyranosyloxy)methyl]-2-hydroxy-3,7-heptadecadienyl]-2-hydroxy-, [1S-[1R*(S*),2S*,3E,7E]]-
  • Hexadecanamide, N-[(1S,2R,3E,7E)-1-[(β-D-glucopyranosyloxy)methyl]-2-hydroxy-3,7-heptadecadienyl]-2-hydroxy-, (2R)-
  • (2R)-N-[(1S,2R,3E,7E)-1-[(β-D-Glucopyranosyloxy)methyl]-2-hydroxy-3,7-heptadecadien-1-yl]-2-hydroxyhexadecanamide
  • Soyacerebroside I

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CAS INSIGHTSTM
Targeted protein degrader structure, illustration