Pseudohecogenin
(1R,2S,4S,8R,9S,12S,13S,16S,18S)-16-hydroxy-6-[(3R)-4-hydroxy-3-methylbutyl]-7,9,13-trimethyl-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-6-en-10-one
Also Known As: Pseudohecogenin|Pseudohecogenin [MI]|Furost-20(22)-en-12-one, 3,26-dihydroxy-, (3beta,5alpha,25R)-|(25R)-3beta,26-Dihydroxy-5alpha-furost-20(22)-en-12-one|(1R,2S,4S,8R,9S,12S,13S,16S,18S)-16-hydroxy-6-[(3R)-4-hydroxy-3-methylbutyl]-7,9,13-trimethyl-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-6-en-10-one|Furost-20(22)-en-12-one, 3,26-dihydroxy-, (3.beta.,5.alpha.,25R)-|(25r)-5alpha-furost-20(22)-en-12-one-3beta,26-diol|(1R,2S,4S,8R,9S,12S,13S,16S,18S)-16-hydroxy-6-((3R)-4-hydroxy-3-methylbutyl)-7,9,13-trimethyl-5-oxapentacyclo(10.8.0.02,9.04,8.013,18)icos-6-en-10-one
| Molecular Formula | C27H42O4 |
|---|---|
| Molecular Weight | 430.30832 g/mol |
| LogP | 4.8765 |
| Topological Polar Surface Area | 66.76 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 430.30832 |
| Monoisotopic Mass | 430.30832 |
| Heavy Atoms | 31 |
| Complexity | 773.1981 |
Chemical Identifiers
| CAS Number | 11005-20-2 |
|---|---|
| SMILES | CC1=C(O[C@@H]2[C@H]1[C@@]3([C@@H](C2)[C@@H]4CC[C@H]5C[C@H](CC[C@@]5([C@H]4CC3=O)C)O)C)CC[C@@H](C)CO |
Product Overview
Pseudohecogenin (CAS 11005-20-2), with molecular formula C27H42O4 and molecular weight 430.30832 g/mol. IUPAC: (1R,2S,4S,8R,9S,12S,13S,16S,18S)-16-hydroxy-6-[(3R)-4-hydroxy-3-methylbutyl]-7,9,13-trimethyl-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-6-en-10-one.