AC1L7X0E
(4aS,6aR,6aS,6bR,8aR,9R,10S,12aS,14bS)-10-acetyloxy-9-(acetyloxymethyl)-2,2,6a,6b,9,12a-hexamethyl-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-4a-carboxylic acid
Also Known As: 3beta,23-Bis(acetyloxy)-11-oxoolean-12-en-28-oic acid|(4aS,6aR,6aS,6bR,8aR,9R,10S,12aS,14bS)-10-acetyloxy-9-(acety|(4aS,6aR,6aS,6bR,8aR,9R,10S,12aS,14bS)-10-acetyloxy-9-(acetyloxymethyl)-2,2,6a,6b,9,12a-hexamethyl-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-4a-carboxylic acid
| Molecular Formula | C34H50O7 |
|---|---|
| Molecular Weight | 570.35565 g/mol |
| LogP | 6.3 |
| Topological Polar Surface Area | 107.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 570.35565 |
| Monoisotopic Mass | 570.35565 |
| Heavy Atoms | 41 |
| Complexity | 1200.0 |
Chemical Identifiers
| CAS Number | 84072-24-2 |
|---|---|
| SMILES | CC(=O)OC[C@]1([C@@H]2CC[C@@]3([C@@H]([C@]2(CC[C@@H]1OC(=O)C)C)C(=O)C=C4[C@]3(CC[C@@]5([C@H]4CC(CC5)(C)C)C(=O)O)C)C)C |
| InChIKey | KBLYXYBUIJSJAE-GNLQXXMXSA-N |
Product Overview
AC1L7X0E (CAS 84072-24-2), with molecular formula C34H50O7 and molecular weight 570.35565 g/mol. IUPAC: (4aS,6aR,6aS,6bR,8aR,9R,10S,12aS,14bS)-10-acetyloxy-9-(acetyloxymethyl)-2,2,6a,6b,9,12a-hexamethyl-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-4a-carboxylic acid.
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