PBS 57

CAS Registry Number®

898531-99-2
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CAS Name

PBS 57

Molecular Formula

C50H96N2O9

Molecular Mass

869.31

Cite this Page

PBS 57.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=898531-99-2 (retrieved 2024-05-20) (CAS RN: 898531-99-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C50H96N2O9/c1-4-6-8-10-12-14-16-18-19-20-21-22-23-24-25-26-28-30-32-34-36-38-45(55)52-42(40-60-50-49(59)48(58)47(57)44(61-50)39-51-41(3)53)46(56)43(54)37-35-33-31-29-27-17-15-13-11-9-7-5-2/h18-19,42-44,46-50,54,56-59H,4-17,20-40H2,1-3H3,(H,51,53)(H,52,55)/b19-18-/t42-,43+,44+,46-,47-,48-,49+,50-/m0/s1

InChIKey

InChIKey=LIXVHWQNKBIZBR-ICAJWQFTSA-N

SMILES

O(C[C@@H]([C@@H]([C@@H](CCCCCCCCCCCCCC)O)O)NC(CCCCCCCCCCCCC/C=C\CCCCCCCC)=O)[C@H]1O[C@H](CNC(C)=O)[C@H](O)[C@H](O)[C@H]1O

Canonical SMILES

O=C(NCC1OC(OCC(NC(=O)CCCCCCCCCCCCCC=CCCCCCCCC)C(O)C(O)CCCCCCCCCCCCCC)C(O)C(O)C1O)C

Other Names for this Substance

  • 15-Tetracosenamide, N-[(1S,2S,3R)-1-[[[6-(acetylamino)-6-deoxy-α-D-galactopyranosyl]oxy]methyl]-2,3-dihydroxyheptadecyl]-, (15Z)-
  • (15Z)-N-[(1S,2S,3R)-1-[[[6-(Acetylamino)-6-deoxy-α-D-galactopyranosyl]oxy]methyl]-2,3-dihydroxyheptadecyl]-15-tetracosenamide
  • PBS 57

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