(20α)-3,5,6,16,17-Pentadehydro-16-(methoxycarbonyl)-19α-methyl-18-oxayohimban-4-ium (CAS 47485-83-6) — formula C21H21N2O3+, molecular weight 349.4; category organic chemicals.
| CAS Number | 47485-83-6 |
|---|---|
| Molecular Formula | C21H21N2O3+ |
| Molecular Weight | 349.4 |
| LogP | 3.1 |
| Category | Organic Chemicals |
(20α)-3,5,6,16,17-Pentadehydro-16-(methoxycarbonyl)-19α-methyl-18-oxayohimban-4-ium is a carbon-based organic compound with CAS registry number 47485-83-6 and molecular formula C21H21N2O3+ (molecular weight 349.4), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 47485-83-6
Its molecular formula C21H21N2O3+ comprises 21 C, 21 H, 2 N, 3 O atoms.
Also known as: (20α)-3,5,6,16,17-Pentadehydro-16-(methoxycarbonyl)-19α-methyl-18-oxayohimban-4-ium · (20α)-3,5,6,16,17-五氢-16-(甲氧基羰基)-19α-甲基-18-oxayohimban-4-ium
Category: organic chemicals
The CAS registry number of (20α)-3,5,6,16,17-Pentadehydro-16-(methoxycarbonyl)-19α-methyl-18-oxayohimban-4-ium is 47485-83-6.
Molecular formula C21H21N2O3+, molecular weight 349.4.
It is also registered under: (20α)-3,5,6,16,17-Pentadehydro-16-(methoxycarbonyl)-19α-methyl-18-oxayohimban-4-ium, (20α)-3,5,6,16,17-五氢-16-(甲氧基羰基)-19α-甲基-18-oxayohimban-4-ium.
Category: Organic Chemicals.
Independent reference data for (20α)-3,5,6,16,17-Pentadehydro-16-(methoxycarbonyl)-19α-methyl-18-oxayohimban-4-ium (CAS 47485-83-6), compiled from public chemistry databases.
| CAS 号 | 47485-83-6 |
|---|---|
| PubChem CID | 170780 |
| 分子式 | C21H21N2O3+ |
| IUPAC 名称 | methyl (15S,16S,20S)-16-methyl-17-oxa-3-aza-13-azoniapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),2(10),4,6,8,11,18-heptaene-19-carboxylate |
| Molecular Weight | 349.4 |
|---|---|
| XLogP3 | 3.1 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 2 |
| Exact Mass | 349.15521754 |
| Monoisotopic Mass | 349.15521754 |
| Topological Polar Surface Area | 55.2 |
| Heavy Atom Count | 26 |
47485-83-6; Oxayohimbanium, 3,4,5,6,16,17-hexadehydro-16-(methoxycarbonyl)-19-methyl-, (19alpha,20alpha)-; BG 8; alstonine(1+); SCHEMBL93466; DTXSID90197155; CHEBI:142530; AKOS032948885; (19alpha,20alpha)-3,4,5,6,16,17-Hexadehydro-16-(methoxycarbonyl)-19-methyloxayohimbanium; 3,4,5,6,16,17-Hexadehydro-16-(methoxycarbonyl)-19.alpha.-methyl-20.alpha.-oxayohimbanium; (19alpha,20alpha)-16-(methoxycarbonyl)-19-methyl-3,4,5,6,16,17-hexadehydro-18-oxayohimban-4-ium; 16-(Methoxycarbonyl)-19alpha-methyl-20alpha-3,4,5,6,16,17-hexadehydro-18-oxayohimban-4-ium
(20α)-3,5,6,16,17-五氢-16-(甲氧基羰基)-19α-甲基-18-oxayohimban-4-ium · CAS 47485-83-6 · C21H21N2O3+.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: (20α)-3,5,6,16,17-五氢-16-(甲氧基羰基)-19α-甲基-18-oxayohimban-4-ium