CID 30101
8,9,10,22-tetrahydroxy-7,18-dimethyl-19-(5-oxo-2H-furan-3-yl)-4,6,11-trioxahexacyclo[12.11.0.03,12.05,10.015,23.018,22]pentacosane-14-carbaldehyde
Also Known As: CALOTOXIN, Aniline sulphate, HSDB 3468, BRN 0072512, 8,9,10,22-tetrahydroxy-7,18-dimethyl-19-(5-oxo-2H-furan-3-yl)-4,6,11-trioxahexacyclo[12.11.0.03,12.05,10.015,23.018,22]pentacosane-14-carbaldehyde, 5-alpha-Card-20(22)-enolide, 3-beta-((6-deoxy-beta-D-hexopyranos-2-ulos-1-yl)oxy)-2-alpha,14-dihydroxy-19-oxo-, 5-alpha-Card-20(22)-enolide, 3-beta-((6-deoxy-beta-D-hexopyranos-2-ulos-1-yl)oxy)2-alpha,14-dihydroxy-19-oxo-, Card-20(22)-enolide, 3-((6-deoxy-beta-D-hexopyranos-2-ulos-1-yl)oxy)-2,14-dihydroxy-19-oxo-,(2alpha,3beta,5alpha)-
| Molecular Formula | C29H40O10 |
|---|---|
| Molecular Weight | 548.26215 g/mol |
| LogP | 0.97 |
| Topological Polar Surface Area | 151.98 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 2 |
| Exact Mass | 548.26215 |
| Heavy Atoms | 39 |
| Complexity | 1093 |
Chemical Identifiers
| CAS Number | 20304-49-8 |
|---|---|
| SMILES | CC1C(C(C2(C(O1)OC3CC4CCC5C(C4(CC3O2)C=O)CCC6(C5(CCC6C7=CC(=O)OC7)O)C)O)O)O |
Product Overview
CID 30101 (CAS 20304-49-8), with molecular formula C29H40O10 and molecular weight 548.26215 g/mol. IUPAC: 8,9,10,22-tetrahydroxy-7,18-dimethyl-19-(5-oxo-2H-furan-3-yl)-4,6,11-trioxahexacyclo[12.11.0.03,12.05,10.015,23.018,22]pentacosane-14-carbaldehyde.
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