| CAS |
124-87-8
|
| Formula Weight |
602.2 |
| InChI Formula |
InChI=1S/C15H18O7.C15H16O6/c1-12(2,18)6-7-10(16)20-8(6)9-13(3)14(7,19)4-5-15(13,22-5)11(17)21-9;1-5(2)7-8-11(16)19-9(7)10-13(3)14(8,18)4-6-15(13,21-6)12(17)20-10/h5-9,18-19H,4H2,1-3H3;6-10,18H,1,4H2,2-3H3/t5-,6+,7-,8-,9-,13-,14-,15+;6-,7+,8-,9-,10-,13-,14-,15+/m11/s1 |
| IUPAC Name |
(1aR,2aR,2a1R,3S,6R,6aS,8aS,9R)-2a-hydroxy-2a1-methyl-9-(prop-1-en-2-yl)hexahydro-8H-1,5,7-trioxa-3,6-methanocyclopenta[ij]cyclopropa[a]azulene-4,8(2a1H)-dione--(1aR,2aR,2a1R,3S,6R,6aS,8aS,9S)-2a-hydroxy-9-(2-hydroxypropan-2-yl)-2a1-methylhexahydro-8H-1,5,7-trioxa-3,6-methanocyclopenta[ij]cyclopropa[a]azulene-4,8(2a1H)-dione (1/1) |
| Molecular Formula |
C15H16O6 C15H18O7 |
| Molecular Weight (g/mol) |
602.59 |
| SMILES |
[H][C@]1(C(C)(O)C)[C@@]2([H])[C@]3(O)C[C@@H]4[C@@]5(O4)[C@]3(C)[C@]([C@]1([H])OC2=O)([H])OC5=O.[H][C@]6(C([CH2])=C)[C@@]7([H])[C@]8(O)C[C@@H]9[C@@]%10(O9)[C@]8(C)[C@]([C@]6([H])OC7=O)([H])OC%10=O |
| Synonym |
(1aR,2aR,3S,6R,6aS,8aS,8bR,9S)-Hexahydro-2a-hydroxy-9-(1-hydroxy-1-methylethyl)-8b-methyl-3,6-methano-8H-1,5,7-trioxacyclopenta[ij]cycloprop[a]azulene-4,8(3H)-dione compd. with (1aR,2aR,3S,6R,6aS,8aS,8bR,9R)-hexahydro-2a-hydroxy-8b-methyl-9-(1-methylethenyl)-3,6-methano-8H-1,5,7-trioxacyclopenta[ij]cycloprop[a]azulene-4,8(3H)-dione |
| Chemical Name or Material |
Cocculin (Picrotoxin) |
