| CAS Number | 53495-21-9 |
| Catalog Number | AG01EO2A(AGN-PC-3H465B) |
| Chemical Name | (3β,20E)-24-Norchola-5,20(22)-diene-3,23-diol |
| IUPAC Name | (8S,9R,10R,13S,14S)-17-(4-hydroxybut-2-en-2-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol |
| InChI | InChI=1S/C23H36O2/c1-15(10-13-24)19-6-7-20-18-5-4-16-14-17(25)8-11-22(16,2)21(18)9-12-23(19,20)3/h4,10,17-21,24-25H,5-9,11-14H2,1-3H3/t17?,18-,19?,20-,21+,22-,23+/m0/s1 |
| InChI Key | IWNPVBBKCLEUDB-SOIIICCTSA-N |
| MDL Number | MFCD31619288 |
| Molecular Formula | C23H36O2 |
| Molecular Weight | 344.5307 |
| SMILES | [C@@H]1(O)CC2[C@](C)(CC1)[C@]1([H])[C@]([H])([C@@]3([H])[C@@](CC1)(C)[C@@H](/C(/C)=C/CO)CC3)CC=2 |
| Synonyms | 53495-21-9,
(3|A,20E)-24-Norchola-5,20(22)-diene-3,23-diol,
|
| Complexity | 591 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 5 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 344.272g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 25 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 344.539g/mol |
| Monoisotopic Mass | 344.272g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 40.5A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 1 |
| XLogP3 | 5.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number