Aplysiatoxin, 17-debromo-2,3-didehydro-3-deoxy-
(12Z)-9-(1-hydroxyethyl)-3-[5-(3-hydroxyphenyl)-5-methoxypentan-2-yl]-4,14,16,16-tetramethyl-2,6,10,17-tetraoxatricyclo[11.3.1.11,5]octadec-12-ene-7,11-dione
Also Known As: Aplysiatoxin, 17-debromo-2,3-didehydro-3-deoxy-
CAS: 96563-05-2
| Molecular Formula | C32H46O9 |
|---|---|
| Molecular Weight | 574.3142 g/mol |
| LogP | 5.1919 |
| Topological Polar Surface Area | 120.75 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 574.3142 |
| Monoisotopic Mass | 574.3142 |
| Heavy Atoms | 41 |
| Complexity | 1127.9203 |
Chemical Identifiers
| CAS Number | 96563-05-2 |
|---|---|
| SMILES | CC\1CC(C23CC(C(C(O2)C(C)CCC(C4=CC(=CC=C4)O)OC)C)OC(=O)CC(OC(=O)/C=C1\O3)C(C)O)(C)C |
Product Overview
Aplysiatoxin, 17-debromo-2,3-didehydro-3-deoxy- (CAS 96563-05-2), with molecular formula C32H46O9 and molecular weight 574.3142 g/mol. IUPAC: (12Z)-9-(1-hydroxyethyl)-3-[5-(3-hydroxyphenyl)-5-methoxypentan-2-yl]-4,14,16,16-tetramethyl-2,6,10,17-tetraoxatricyclo[11.3.1.11,5]octadec-12-ene-7,11-dione.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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Aplysiatoxin, 17-debromo-2,3-didehydro-3-deoxy- is a custom synthesis product. We offer services from milligram to kilogram scale.
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