For research use only. Not for therapeutic Use.
| Catalog Number | M042309 |
| CAS Number | 162795-98-4 |
| Synonyms | dinophysistoxin 4 |
| Molecular Formula | C66H104O30S3 |
| Purity | ≥95% |
| Storage | Store at RT |
| IUPAC Name | [(3E,5E)-7-[2-hydroxy-3-[11-hydroxy-2-[(E)-4-[4-hydroxy-2-[1-hydroxy-3-(3-methyl-1,7-dioxaspiro[5.5]undecan-2-yl)butyl]-3-methylidenespiro[4a,7,8,8a-tetrahydro-4H-pyrano[3,2-b]pyran-6,5'-oxolane]-2'-yl]but-3-en-2-yl]-4-methyl-1,7-dioxaspiro[5.5]undec-4-en-8-yl]-2-methylpropanoyl]oxy-6-methylhepta-3,5-dienyl] (E)-7,11,13-trihydroxy-9,12,14-trisulfooxytetradec-3-enoate |
| InChI | 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 |
| SMILES | CC1CCC2(CCCCO2)OC1C(C)CC(C3C(=C)C(C4C(O3)CCC5(O4)CCC(O5)C=CC(C)C6CC(=CC7(O6)C(CCC(O7)CC(C)(C(=O)OCC(=CC=CCCOC(=O)CC=CCCC(CC(CC(C(C(COS(=O)(=O)O)O)OS(=O)(=O)O)O)OS(=O)(=O)O)O)C)O)O)C)O)O |
