Cyclamigenin D
(1S,4S,5R,8R,10S,13R,14R,17S,18R,20S)-20-(dimethoxymethyl)-10-hydroxy-4,5,9,9,13,20-hexamethyl-24-oxahexacyclo[15.5.2.01,18.04,17.05,14.08,13]tetracosan-2-one
Also Known As: Cyclamigenin D|Pridentigenin A|3-Hydroxy-29,29-dimethoxy-13,28-epoxyoleanan-16-one|13,28-Epoxy-3beta-hydroxy-30,30-dimethoxyoleanan-16-one|3beta-Hydroxy-30,30-dimethoxy-13,28-epoxyoleanan-16-one|(1S,4S,5R,8R,10S,13R,14R,17S,18R,20S)-20-(dimethoxymethyl)-10-hydroxy-4,5,9,9,13,20-hexamethyl-24-oxahexacyclo[15.5.2.01,18.04,17.05,14.08,13]tetracosan-2-one
| Molecular Formula | C32H52O5 |
|---|---|
| Molecular Weight | 516.3815 g/mol |
| LogP | 5.5 |
| Topological Polar Surface Area | 65.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 516.3815 |
| Monoisotopic Mass | 516.3815 |
| Heavy Atoms | 37 |
| Complexity | 974.0 |
Chemical Identifiers
| CAS Number | 20475-74-5 |
|---|---|
| SMILES | C[C@@]1(CC[C@@]23CO[C@]4([C@@H]2C1)CC[C@@H]5[C@]6(CC[C@@H](C([C@@H]6CC[C@]5([C@@]4(CC3=O)C)C)(C)C)O)C)C(OC)OC |
| InChIKey | VJTHGWPCJWOKLN-WIFRURKKSA-N |
Product Overview
Cyclamigenin D (CAS 20475-74-5), with molecular formula C32H52O5 and molecular weight 516.3815 g/mol. IUPAC: (1S,4S,5R,8R,10S,13R,14R,17S,18R,20S)-20-(dimethoxymethyl)-10-hydroxy-4,5,9,9,13,20-hexamethyl-24-oxahexacyclo[15.5.2.01,18.04,17.05,14.08,13]tetracosan-2-one.
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