(3β,5β,10α,11α)-3-[(7-Carboxyheptanoyl)oxy]-11,14-dihydroxy-12-oxobufa-20,22-dienolide

More details:

• Systematic name

  (3beta,5beta,10alpha,11alpha)-3-[(7-Carboxyheptanoyl)oxy]-11,14-dihydroxy-12-oxobufa-20,22-dienolide

• SMILES

  C[C@@]12CC[C@@H](C[C@H]1CC[C@@H]1[C@@H]2[C@H](O)C(=O)[C@]2(C)[C@H](CC[C@@]21O)C1=COC(=O)C=C1)OC(=O)CCCCCCC(O)=O

• Std. InChi

  InChI=1S/C32H44O9/c1-30-15-13-21(41-26(36)8-6-4-3-5-7-24(33)34)17-20(30)10-11-23-27(30)28(37)29(38)31(2)22(14-16-32(23,31)39)19-9-12-25(35)40-18-19/h9,12,18,20-23,27-28,37,39H,3-8,10-11,13-17H2,1-2H3,(H,33,34)/t20-,21+,22-,23-,27-,28+,30-,31+,32+/m1/s1

• Std. InChIKey

  LYCCSNYEMCXNRM-GCZYTQPQSA-N

• Cite this record

  CSID:113609336, http://www.chemspider.com/Chemical-Structure.113609336.html (accessed 05:01, Apr 20, 2024)