Samandaridin
(1S,2S,3S,6S,7R,11S,13S,14S,17R,19R)-2,6-dimethyl-10,22-dioxa-20-azahexacyclo[17.2.1.02,17.03,14.06,13.07,11]docosan-9-one
Also Known As: Samandaridin|Samandaridine|4-27-00-06565 (Beilstein Handbook Reference)|3-Aza-A-homopregnan-21-oic acid, 1,4-epoxy-16-hydroxy-, gamma-lactone, (1-alpha,4-alpha-5-beta,16-beta)-|(2R,5S,5aS,5bS,7aS,7bR,10aS,11aS,11bS,13aR)-5a,7a-dimethyloctadecahydro-2,5-epoxyfuro[3'',2'':3',4']cyclopenta[1',2':5,6]naphtho[1,2-d]azepin-9(1H)-one|(1S,2S,3S,6S,7R,11S,13S,14S,17R,19R)-2,6-dimethyl-10,22-dioxa-20-azahexacyclo(17.2.1.02,17.03,14.06,13.07,11)docosan-9-one|(1S,2S,3S,6S,7R,11S,13S,14S,17R,19R)-2,6-dimethyl-10,22-dioxa-20-azahexacyclo[17.2.1.02,17.03,14.06,13.07,11]docosan-9-one
| Molecular Formula | C21H31NO3 |
|---|---|
| Molecular Weight | 345.2304 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 47.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 345.2304 |
| Monoisotopic Mass | 345.2304 |
| Heavy Atoms | 25 |
| Complexity | 622.0 |
Chemical Identifiers
| CAS Number | 6384-73-2 |
|---|---|
| SMILES | C[C@]12CC[C@H]3[C@H]([C@@H]1C[C@H]4[C@@H]2CC(=O)O4)CC[C@H]5[C@@]3([C@H]6CN[C@@H](C5)O6)C |
| InChIKey | GUSZSGSYIVZEDM-ACYPXLHBSA-N |
Product Overview
Samandaridin (CAS 6384-73-2), with molecular formula C21H31NO3 and molecular weight 345.2304 g/mol. IUPAC: (1S,2S,3S,6S,7R,11S,13S,14S,17R,19R)-2,6-dimethyl-10,22-dioxa-20-azahexacyclo[17.2.1.02,17.03,14.06,13.07,11]docosan-9-one.