Methyl (βS)-β-acetoxy-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-acetoxy-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

  CC(=O)O[C@H]([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](C)CC[C@@H](O)C(C)(C)O)C(C)(C)[C@H]1O)C(=O)OC)C1C=CC=CC=1

• Std. InChi

  InChI=1S/C48H73NO12/c1-27(17-20-35(51)44(5,6)57)30-21-22-47(9)31-18-19-34-43(3,4)41(55)33(24-46(34,8)32(31)23-36(52)48(30,47)10)61-38(54)26-45(7,58)25-37(53)49-39(42(56)59-11)40(60-28(2)50)29-15-13-12-14-16-29/h12-16,27,30,33-36,39-41,51-52,55,57-58H,17-26H2,1-11H3,(H,49,53)/t27-,30-,33-,34+,35-,36+,39+,40+,41+,45-,46-,47+,48+/m1/s1

• Std. InChIKey

  AAJAPPYEUBJOGG-DERQANKZSA-N

• Cite this record

  CSID:78442409, http://www.chemspider.com/Chemical-Structure.78442409.html (accessed 21:04, Jul 4, 2024)