Methyl (βS)-β-hydroxy-N-[(3R)-3-hydroxy-3-methyl-5-oxo-5-{[(2α,3β,12α,21R,24R)-3,12,21,25-tetrahydroxy-21,24-epoxylanost-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,21R,24R)-3,12,21,25-tetrahydroxy-21,24-epoxylanost-8-en-2-yl]oxy}pentanoyl]-L-phenylalaninate

• SMILES

  COC(=O)[C@@H](NC(=O)C[C@@](C)(O)CC(=O)O[C@@H]1C[C@@]2(C)[C@@H](CCC3=C2C[C@H](O)[C@]2(C)[C@H](CC[C@]23C)[C@H]2CC[C@@H](O[C@H]2O)C(C)(C)O)C(C)(C)[C@H]1O)[C@@H](O)C1C=CC=CC=1

• Std. InChi

  InChI=1S/C46H69NO12/c1-41(2)31-17-16-28-29(21-32(48)46(8)27(19-20-45(28,46)7)26-15-18-33(42(3,4)55)59-39(26)53)44(31,6)22-30(38(41)52)58-35(50)24-43(5,56)23-34(49)47-36(40(54)57-9)37(51)25-13-11-10-12-14-25/h10-14,26-27,30-33,36-39,48,51-53,55-56H,15-24H2,1-9H3,(H,47,49)/t26-,27-,30-,31+,32+,33-,36+,37+,38+,39-,43-,44-,45+,46+/m1/s1

• Std. InChIKey

  ZRYFALPBUPDYAR-WKNKVYJASA-N

• Cite this record

  CSID:78442411, http://www.chemspider.com/Chemical-Structure.78442411.html (accessed 21:04, Jul 4, 2024)