Identification
| Name |
Dinophysistoxin-4 |
|---|
| Synonyms |
[(3E,5E)-7-[2-Hydroxy-3-[11-Hydroxy-2-[(E)-3-[4-Hydroxy-2-[1-Hydroxy-3-(3-Methyl-1,7-Dioxaspiro[5.5]Undecan-2-Yl)Butyl]-3-Methylene-Spiro[4A,7,8,8A-Tetrahydro-4H-Pyrano[2,3-E]Pyran-6,5'-Tetrahydrofuran]-2'-Yl]-1-Methyl-Prop-2-Enyl]-4-Methyl-1,7-Dioxaspiro[5.5]Undec-4-En-8-Yl]-2-Methyl-Propanoyl]Oxy-6-Methyl-Hepta-3,5-Dienyl] (E)-7,11,13-Trihydroxy-9,12,14-Trisulfooxy-Tetradec-3-Enoate; (E)-7,11,13-Trihydroxy-9,12,14-Trisulfooxytetradec-3-Enoic Acid [(3E,5E)-7-[2-Hydroxy-3-[11-Hydroxy-2-[(E)-3-[4-Hydroxy-2-[1-Hydroxy-3-(3-Methyl-1,7-Dioxaspiro[5.5]Undecan-2-Yl)Butyl]-3-Methylene-2'-Spiro[4A,7,8,8A-Tetrahydro-4H-Pyrano[2,3-E]Pyran-6,5'-Tetrahydrofuran]Yl]-1-Methylprop-2-Enyl]-4-Methyl-1,7-Dioxaspiro[5.5]Undec-4-En-8-Yl]-2-Methyl-1-Oxopropoxy]-6-Methylhepta-3,5-Dienyl] Ester; (E)-7,11,13-Trihydroxy-9,12,14-Trisulfoxy-Tetradec-3-Enoic Acid [(3E,5E)-7-[2-Hydroxy-3-[11-Hydroxy-2-[(E)-3-[4-Hydroxy-2-[1-Hydroxy-3-(3-Methyl-1,7-Dioxaspiro[5.5]Undecan-2-Yl)Butyl]-3-Methylene-Spiro[4A,7,8,8A-Tetrahydro-4H-Pyrano[2,3-E]Pyran-6,5'-Tetrahydrofuran]-2'-Yl]-1-Methyl-Prop-2-Enyl]-4-Methyl-1,7-Dioxaspiro[5.5]Undec-4-En-8-Yl]-2-Methyl-Propanoyl]Oxy-6-Methyl-Hepta-3,5-Dienyl] Ester |
|
| Molecular Structure |
 |
| Molecular Formula |
C66H104O30S3 |
| Molecular Weight |
1473.71 |
| CAS Registry Number |
162795-98-4 |
| SMILES |
C(C(O)C5OC4C(OC1(OC(CC1)\C=C\C(C3OC2(OC(CCC2O)CC(O)(C(OC\C(=C\C=C\CCOC(=O)C/C=C/CCC(O)CC(O[S](=O)(=O)O)CC(O)C(O[S](=O)(=O)O)C(O)CO[S](=O)(=O)O)C)=O)C)C=C(C3)C)C)CC4)C(O)C5=C)C(C7OC6(OCCCC6)CCC7C)C |
| InChI |
1S/C66H104O30S3/c1-40(16-10-9-14-30-85-56(72)18-12-8-11-17-46(67)34-49(95-98(79,80)81)35-51(69)60(96-99(82,83)84)52(70)39-88-97(76,77)78)38-86-62(74)63(7,75)37-48-21-22-55(71)66(91-48)36-41(2)32-54(92-66)42(3)19-20-47-24-28-65(90-47)29-25-53-61(94-65)57(73)45(6)59(89-53)50(68)33-44(5)58-43(4)23-27-64(93-58)26-13-15-31-87-64/h8-10,12,16,19-20,36,42-44,46-55,57-61,67-71,73,75H,6,11,13-15,17-18,21-35,37-39H2,1-5,7H3,(H,76,77,78)(H,79,80,81)(H,82,83,84)/b10-9+,12-8+,20-19+,40-16+ |
| InChIKey |
HGVSCTOLRDBUGU-YATGJHGASA-N |
|
