Aridanin
(4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
| Molecular Formula | C38H61NO8 |
|---|---|
| Molecular Weight | 659.9 g/mol |
| LogP | 5.9 |
| Topological Polar Surface Area | 146.0 A2 |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 659.4397 |
| Heavy Atoms | 47 |
| Complexity | 1300.0 |
Chemical Identifiers
| CAS Number | 81053-26-1 |
|---|---|
| SMILES | CC(=O)NC1C(C(C(OC1OC2CCC3(C(C2(C)C)CCC4(C3CC=C5C4(CCC6(C5CC(CC6)(C)C)C(=O)O)C)C)C)CO)O)O |
| InChIKey | VRFWJSCLROXBBW-FUHHSGJXSA-N |
📖 Product Overview
Aridanin (CAS: 81053-26-1) is a chemical compound with molecular formula C38H61NO8 and molecular weight 659.9 g/mol. Its IUPAC systematic name is (4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid.
VRFWJSCLROXBBW-FUHHSGJXSA-N.
SMILES: CC(=O)NC1C(C(C(OC1OC2CCC3(C(C2(C)C)CCC4(C3CC=C5C4(CCC6(C5CC(CC6)(C)C)C(=O)O)C)C)C)CO)O)O.
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