(1S,1''S,2a'S,4'S,4a'S,5R,5''R,6a'S,13R,13''R,14S,17S,17''S)-4,4''-Diisobutyl-6',6a'-dihydro-17H,17''H-dispiro[12-oxa-4-azapentacyclo[9.6.1.0^1,13.0^5,17.0^7,18]octadeca-7(18),8,10-triene-14,2'-[1, 3,5]trioxa[6b]azacyclopenta[cd]pentalene-4',14''-[12]oxa[4]azapentacyclo[9.6.1.0^1,13.0^5,17.0^7,18]octadeca[7(18),8,10]triene]-10,10'',17,17''-tetrol

More details:

• Systematic name

  (1S,1''S,2a'S,4'S,4a'S,5R,5''R,6a'S,13R,13''R,14S,17S,17''S)-4,4''-Diisobutyl-6',6a'-dihydro-17H,17''H-dispiro[12-oxa-4-azapentacyclo[9.6.1.0~1,13~.0~5,17~.0~7,18~]octadeca-7(18),8,10-triene-14,2'-[1, 3,5]trioxa[6b]azacyclopenta[cd]pentalene-4',14''-[12]oxa[4]azapentacyclo[9.6.1.0~1,13~.0~5,17~.0~7,18~]octadeca[7(18),8,10]triene]-10,10'',17,17''-tetrol

• SMILES

  CC(C)CN1CC[C@]23c4c5ccc(c4O[C@H]2[C@@]6(CC[C@]3([C@H]1C5)O)[C@H]7N8[C@H](CO7)O[C@@]9([C@@H]8O6)CC[C@]1([C@H]2Cc3ccc(c4c3[C@]1([C@H]9O4)CCN2CC(C)C)O)O)O

• Std. InChi

  InChI=1S/C44H55N3O9/c1-22(2)19-45-15-13-39-31-24-5-7-26(48)33(31)53-35(39)41(9-11-43(39,50)28(45)17-24)37-47-30(21-52-37)55-42(38(47)56-41)10-12-44(51)29-18-25-6-8-27(49)34-32(25)40(44,36(42)54-34)14-16-46(29)20-23(3)4/h5-8,22-23,28-30,35-38,48-51H,9-21H2,1-4H3/t28-,29-,30+,35-,36-,37+,38+,39+,40+,41+,42+,43-,44-/m1/s1

• Std. InChIKey

  VGHHPZPNDPOCML-KAEFNMNLSA-N

• Cite this record

  CSID:26615904, http://www.chemspider.com/Chemical-Structure.26615904.html (accessed 03:12, Jul 2, 2024)