PBS 57
CAS Registry Number®
898531-99-2
No image available.
CAS Name
PBS 57Molecular Formula
C50H96N2O9Molecular Mass
869.31Cite 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 ) (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