AC1L6KBP
[(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-yl] N-methylcarbamate
Also Known As: KST-1A9013|Cholest-5-en-3beta-yl methylcarbamate|(3|A)-cholest-5-en-3-yl methylcarbamate|[(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-yl] N-methylcarbamate|(+-)-2-<5-Acetyl-2,3-dihydro-benzofuryl-(2)>-propanol-(2)-acetat|(3S,8S,9S,10R,13R,14S,17R)-10,13-Dimethyl-17-((R)-6-methylheptan-2-yl)-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl methylcarbamate
| Molecular Formula | C29H49NO2 |
|---|---|
| Molecular Weight | 443.37634 g/mol |
| LogP | 8.9 |
| Topological Polar Surface Area | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 443.37634 |
| Monoisotopic Mass | 443.37634 |
| Heavy Atoms | 32 |
| Complexity | 714.0 |
Chemical Identifiers
| CAS Number | 92588-72-2 |
|---|---|
| SMILES | C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)OC(=O)NC)C)C |
| InChIKey | RNMRMPBAIMIQFN-OHPSOFBHSA-N |
Product Overview
AC1L6KBP (CAS 92588-72-2), with molecular formula C29H49NO2 and molecular weight 443.37634 g/mol. IUPAC: [(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-yl] N-methylcarbamate.