| CAS Number | 78887-48-6 |
| Catalog Number | AG00G3GP(AGN-PC-0UDYOG) |
| Chemical Name | Cholesterol-13C2 |
| IUPAC Name | (3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol |
| InChI | InChI=1S/C27H46O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9,18-19,21-25,28H,6-8,10-17H2,1-5H3/t19-,21+,22+,23-,24+,25+,26+,27-/m1/s1/i17+1,21+1 |
| InChI Key | HVYWMOMLDIMFJA-WKKCFSIESA-N |
| MDL Number | MFCD00143965 |
| Molecular Formula | C27H46O |
| Molecular Weight | 388.6388 |
| SMILES | C[C@@]12[C@@]([H])([C@H](C)CCCC(C)C)CC[C@@]1([H])[C@]1([H])CC=C3[13CH2][13C@H](CC[C@]3(C)[C@@]1([H])CC2)O |
| Synonyms | Cholesterol-3,4-13C2,
78887-48-6,
DTXSID00486648,
Cholesterol-3,4-13C2, S & P tested, 99 atom % 13C,
|
| Complexity | 591 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 8 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 388.362g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 28 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 2 |
| Molecular Weight | 388.649g/mol |
| Monoisotopic Mass | 388.362g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 20.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 8.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number