gymnocin A

More details:

• Systematic name

  (2E)-2-Methyl-4-[(2S,3aS,4aR,5aS,6aR,7aS,8aR,10aS,11aR,12aS,13aR,14aS,15aR,16aS,18R,19S,20aR,21aS,23aR,24aS,25aR,26aS,27aR,28aS,29aR,30aS,31S,32aR,33aS,34S,35aR)-19,31,34-trihydroxy-14a,18,28a-trimeth ylhexatetracontahydro-2H-furo[3,2-b]pyrano[2''''''''''',3''''''''''':5'''''''''',6'''''''''']pyrano[2'''''''''',3'''''''''':6''''''''',7''''''''']oxepino[2''''''''',3''''''''':5'''''''',6'''''''']pyra no[2'''''''',3'''''''':5''''''',6''''''']pyrano[2''''''',3''''''':5'''''',6'''''']pyrano[2'''''',3'''''':5''''',6''''']pyrano[2''''',3''''':6'''',7'''']oxepino[2'''',3'''':5''',6''']pyrano[2''',3''':5 '',6'']pyrano[2'',3'':6',7']oxepino[2',3':5,6]pyrano[2,3-f]oxepin-2-yl]-2-butenal

• SMILES

  O=C\C(=C\C[C@@H]6O[C@@H]7C[C@H](O)[C@@H]8O[C@@H]9C[C@H](O)[C@@H]%10O[C@@H]%11C[C@@]%12(O[C@@H]%13C[C@@H]%14O[C@H]1[C@@H](O[C@@H]2C[C@@]3(O[C@@H]4C[C@@H]5O[C@H](C)[C@@H](O)C[C@H]5O[C@H]4CC[C@H]3O[C@H]2C1)C)C[C@H]%14O[C@H]%13CC[C@H]%12O[C@H]%11C[C@H]%10O[C@H]9C[C@H]8O[C@H]7C6)C)C

• Std. InChi

  InChI=1S/C55H80O18/c1-24(23-56)5-6-26-11-32-33(61-26)13-28(58)52-46(65-32)19-41-35(70-52)14-29(59)53-47(66-41)20-43-49(71-53)22-55(4)51(69-43)10-8-31-45(73-55)18-40-37(63-31)15-39-38(64-40)16-42-48(67-39)21-54(3)50(68-42)9-7-30-44(72-54)17-36-34(62-30)12-27(57)25(2)60-36/h5,23,25-53,57-59H,6-22H2,1-4H3/b24-5+/t25-,26+,27+,28+,29+,30+,31+,32+,33-,34-,35-,36+,37-,38-,39+,40+,41+,42+,43+,44-,45-,46-,47-,48-,49-,50-,51-,52+,53+,54+,55+/m1/s1

• Std. InChIKey

  SHYKGRAJWKSPPP-FEPPLQAISA-N

• Cite this record

  CSID:9215571, http://www.chemspider.com/Chemical-Structure.9215571.html (accessed 09:56, Apr 19, 2024)