Soyasapogenol C
(3S,4S,4aR,6aR,6bS,8aS,12aR,14aR,14bR)-4-(hydroxymethyl)-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,12,12a,14,14a-dodecahydropicen-3-ol
Also Known As: Soyasapogenol C|Sapogenol C|SoyasapogenolC|SOYASAPOGENOL|HY-N8156|TN2226|FS-7227|OLEANA-12,21-DIENE-3beta,24-DIOL|Oleana-12,21-diene-3,23-diol, (3beta,4beta)-|(4S)-Oleana-12,21-diene-3beta,24-diol|5alpha-Oleana-12,21-diene-3beta,24-diol|(3S,4S,4aR,6aR,6bS,8aS,12aR,14aR,14bR)-4-(hydroxymethyl)-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,12,12a,14,14a-dodecahydropicen-3-ol|OLEANA-12,21-DIENE-3.BETA.,24-DIOL|OLEANA-12,21-DIENE-3,23-DIOL, (3.BETA.,4.BETA.)-|(3S,4S,4AR,6AR,6BS,8AS,12AR,14AR,14BR)-4-(HYDROXYMETHYL)-4,6A,6B,8A,11,11,14B-HEPTAMETHYL-1,2,3,4,4A,5,6,6A,6B,7,8,8A,11,12,12A,14,14A,14B-OCTADECAHYDROPICEN-3-OL
| Molecular Formula | C30H48O2 |
|---|---|
| Molecular Weight | 440.36542 g/mol |
| LogP | 6.9173 |
| Topological Polar Surface Area | 40.46 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 440.36542 |
| Monoisotopic Mass | 440.36542 |
| Heavy Atoms | 32 |
| Complexity | 854.8929 |
Chemical Identifiers
| CAS Number | 595-14-2 |
|---|---|
| SMILES | C[C@@]12CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@@H]([C@]5(C)CO)O)C)C)[C@@H]1CC(C=C2)(C)C)C |
Product Overview
Soyasapogenol C (CAS 595-14-2), with molecular formula C30H48O2 and molecular weight 440.36542 g/mol. IUPAC: (3S,4S,4aR,6aR,6bS,8aS,12aR,14aR,14bR)-4-(hydroxymethyl)-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,12,12a,14,14a-dodecahydropicen-3-ol.