Methyl (βS)-β-hydroxy-N-[(3R)-3-hydroxy-3-methyl-5-oxo-5-{[(2α,3β,12α,24R)-3,12,24,25-tetrahydroxylanost-8-en-2-yl]oxy}pentanoyl]-L-phenylalaninate

More details:

• Systematic name

  Methyl (betaS)-beta-hydroxy-N-[(3R)-3-hydroxy-3-methyl-5-oxo-5-{[(2alpha,3beta,12alpha,24R)-3,12,24,25-tetrahydroxylanost-8-en-2-yl]oxy}pentanoyl]-L-phenylalaninate

• SMILES

  C[C@H](CC[C@@H](O)C(C)(C)O)[C@H]1CC[C@@]2(C)C3CC[C@@H]4[C@](C)(C[C@@H](OC(=O)C[C@](C)(O)CC(=O)N[C@@H]([C@@H](O)C5C=CC=CC=5)C(=O)OC)[C@H](O)C4(C)C)C=3C[C@H](O)[C@@]21C

• Std. InChi

  InChI=1S/C46H71NO11/c1-26(16-19-33(48)42(4,5)55)28-20-21-45(8)29-17-18-32-41(2,3)39(53)31(23-44(32,7)30(29)22-34(49)46(28,45)9)58-36(51)25-43(6,56)24-35(50)47-37(40(54)57-10)38(52)27-14-12-11-13-15-27/h11-15,26,28,31-34,37-39,48-49,52-53,55-56H,16-25H2,1-10H3,(H,47,50)/t26-,28-,31-,32+,33-,34+,37+,38+,39+,43-,44-,45+,46+/m1/s1

• Std. InChIKey

  BKWGPNSHTAIBII-FINKOGSESA-N

• Cite this record

  CSID:78442407, http://www.chemspider.com/Chemical-Structure.78442407.html (accessed 20:24, Jul 4, 2024)