16,17-Didehydro-16-(methoxycarbonyl)-4,19α-dimethyl-18-oxayohimban-4-ium (CAS 6801-41-8) — formula C22H27N2O3+, molecular weight 367.5; category organic chemicals.
| CAS Number | 6801-41-8 |
|---|---|
| Molecular Formula | C22H27N2O3+ |
| Molecular Weight | 367.5 |
| LogP | 2.8 |
| Category | Organic Chemicals |
16,17-Didehydro-16-(methoxycarbonyl)-4,19α-dimethyl-18-oxayohimban-4-ium is a carbon-based organic compound with CAS registry number 6801-41-8 and molecular formula C22H27N2O3+ (molecular weight 367.5), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 6801-41-8
Its molecular formula C22H27N2O3+ comprises 22 C, 27 H, 2 N, 3 O atoms.
Also known as: 16,17-Didehydro-16-(methoxycarbonyl)-4,19α-dimethyl-18-oxayohimban-4-ium · 16,17-二脱氢-16-(甲氧基羰基)-4,19α-二甲基-18-oxayohimban-4-ium
Category: organic chemicals
The CAS registry number of 16,17-Didehydro-16-(methoxycarbonyl)-4,19α-dimethyl-18-oxayohimban-4-ium is 6801-41-8.
Molecular formula C22H27N2O3+, molecular weight 367.5.
It is also registered under: 16,17-Didehydro-16-(methoxycarbonyl)-4,19α-dimethyl-18-oxayohimban-4-ium, 16,17-二脱氢-16-(甲氧基羰基)-4,19α-二甲基-18-oxayohimban-4-ium.
Category: Organic Chemicals.
Independent reference data for 16,17-Didehydro-16-(methoxycarbonyl)-4,19α-dimethyl-18-oxayohimban-4-ium (CAS 6801-41-8), compiled from public chemistry databases.
| CAS 号 | 6801-41-8 |
|---|---|
| PubChem CID | 20054968 |
| 分子式 | C22H27N2O3+ |
| IUPAC 名称 | methyl (1S,15R,16S,20S)-13,16-dimethyl-17-oxa-3-aza-13-azoniapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4,6,8,18-pentaene-19-carboxylate |
| UNII（FDA） | ZNR266JB1M |
| Molecular Weight | 367.5 |
|---|---|
| XLogP3 | 2.8 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 2 |
| Exact Mass | 367.20216773 |
| Monoisotopic Mass | 367.20216773 |
| Topological Polar Surface Area | 51.3 |
| Heavy Atom Count | 27 |
Melinonine A; Melinonine A [MI]; melinonine a ion; UNII-ZNR266JB1M; ZNR266JB1M; 6801-41-8; (19alpha)-16,17-Didehydro-16-(methoxycarbonyl)-4,19-dimethyloxayohimbanium; Oxayohimbanium, 16,17-didehydro-16-(methoxycarbonyl)-4,19-dimethyl-, (19alpha)-; MELINONINE A CATION; Oxayohimbanium, 16,17-didehydro-16-(methoxycarbonyl)-4,19-dimethyl-, (19.alpha.)-; Q27295789; (19.ALPHA.)-16,17-DIDEHYDRO-16-(METHOXYCARBONYL)-4,19-DIMETHYLOXAYOHIMBANIUM
16,17-二脱氢-16-(甲氧基羰基)-4,19α-二甲基-18-oxayohimban-4-ium · CAS 6801-41-8 · C22H27N2O3+. UNII ZNR266JB1M.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.