(3β,5α,11α,12β,14β,17α)-12-Acetoxy-3-{[2,6-dideoxy-4-O-(6-deoxy-3-O-methyl-β-D-allopyranosyl)-3-O-methyl-α-D-arabino-hexopyranosyl]oxy}-20-oxo-8,14-epoxypregnan-11-yl 2-met hylbutanoate

More details:

• Systematic name

  (3beta,5alpha,11alpha,12beta,14beta,17alpha)-12-Acetoxy-3-{[2,6-dideoxy-4-O-(6-deoxy-3-O-methyl-beta-D-allopyranosyl)-3-O-methyl-alpha-D-arabino-hexopyranosyl]oxy}-20-oxo-8,14-epoxypregnan-11-yl 2-met hylbutanoate

• SMILES

  CCC(C)C(=O)O[C@H]1[C@@H]2[C@@]3(C)CC[C@@H](C[C@@H]3CCC24[C@]5(CC[C@@H](C(=O)C)[C@@]5(C)[C@@H]1OC(=O)C)O4)O[C@@H]6C[C@H]([C@@H]([C@@H](C)O6)O[C@H]7[C@@H]([C@@H]([C@@H]([C@@H](C)O7)O)OC)O)OC CCC(C)C(=O)O[C@H]1[C@@H]2[C@]3(CC[C@@H](C[C@@H]3CCC24[C@@]5(O4)CC[C@H]([C@]5([C@@H]1OC(=O)C)C)C(=O)C)O[C@@H]6C[C@H]([C@@H]([C@H](O6)C)O[C@H]7[C@@H]([C@@H]([C@@H]([C@H](O7)C)O)OC)O)OC)C

• Std. InChi

  InChI=1S/C42H66O14/c1-11-20(2)37(47)54-34-35-39(7)15-13-26(53-29-19-28(48-9)32(23(5)50-29)55-38-31(46)33(49-10)30(45)22(4)51-38)18-25(39)12-16-41(35)42(56-41)17-14-27(21(3)43)40(42,8)36(34)52-24(6)44/h20,22-23,25-36,38,45-46H,11-19H2,1-10H3/t20?,22-,23-,25+,26+,27+,28-,29-,30-,31-,32-,33-,34+,35-,36-,38+,39+,40+,41?,42-/m1/s1

• Std. InChIKey

  HRSFCYYMBMDMOU-NGEZBIKXSA-N

• Cite this record

  CSID:58802451, http://www.chemspider.com/Chemical-Structure.58802451.html (accessed 19:07, Apr 30, 2024)