Indolo2,3-aquinolizine-2-acetic acid, 3-ethenyl-1,2,3,4,6,7,12,12b-octahydro-8-methoxy-.alpha.-(methoxymethylene)-, methyl ester, (.alpha.E,2S,3R,12bS)- (CAS 4697-66-9) — formula C23H28N2O4, molecular weight 396.5; category organic chemicals.
| CAS Number | 4697-66-9 |
|---|---|
| Molecular Formula | C23H28N2O4 |
| Molecular Weight | 396.5 |
| LogP | 3.2 |
| Category | Organic Chemicals |
Indolo2,3-aquinolizine-2-acetic acid, 3-ethenyl-1,2,3,4,6,7,12,12b-octahydro-8-methoxy-.alpha.-(methoxymethylene)-, methyl ester, (.alpha.E,2S,3R,12bS)- is a carbon-based organic compound with CAS registry number 4697-66-9 and molecular formula C23H28N2O4 (molecular weight 396.5), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 4697-66-9
Its molecular formula C23H28N2O4 comprises 23 C, 28 H, 2 N, 4 O atoms.
Also known as: Indolo2,3-aquinolizine-2-acetic acid, 3-ethenyl-1,2,3,4,6,7,12,12b-octahydro-8-methoxy-.alpha.-(methoxymethylene)-, methyl ester, (.alpha.E,2S,3R,12bS)- · 化合物 Paynantheine
Category: organic chemicals
The CAS registry number of Indolo2,3-aquinolizine-2-acetic acid, 3-ethenyl-1,2,3,4,6,7,12,12b-octahydro-8-methoxy-.alpha.-(methoxymethylene)-, methyl ester, (.alpha.E,2S,3R,12bS)- is 4697-66-9.
Molecular formula C23H28N2O4, molecular weight 396.5.
It is also registered under: Indolo2,3-aquinolizine-2-acetic acid, 3-ethenyl-1,2,3,4,6,7,12,12b-octahydro-8-methoxy-.alpha.-(methoxymethylene)-, methyl ester, (.alpha.E,2S,3R,12bS)-, 化合物 Paynantheine.
Category: Organic Chemicals.
Independent reference data for Indolo2,3-aquinolizine-2-acetic acid, 3-ethenyl-1,2,3,4,6,7,12,12b-octahydro-8-methoxy-.alpha.-(methoxymethylene)-, methyl ester, (.alpha.E,2S,3R,12bS)- (CAS 4697-66-9), compiled from public chemistry databases.
| CAS 号 | 4697-66-9 |
|---|---|
| PubChem CID | 3037629 |
| 分子式 | C23H28N2O4 |
| IUPAC 名称 | methyl (E)-2-[(2S,3R,12bS)-3-ethenyl-8-methoxy-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-2-yl]-3-methoxyprop-2-enoate |
| UNII（FDA） | YLG43M4U5V |
| Molecular Weight | 396.5 |
|---|---|
| XLogP3 | 3.2 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 6 |
| Exact Mass | 396.20490738 |
| Monoisotopic Mass | 396.20490738 |
| Topological Polar Surface Area | 63.8 |
| Heavy Atom Count | 29 |
Paynantheine; 4697-66-9; (+)-Paynantheine; YLG43M4U5V; DTXSID10904742; 17,18-Secoyohimban-16-carboxylic acid, 16,17,18,19-tetradehydro-9,17-dimethoxy-, methyl ester, (E)-; RefChem:170229; DTXCID901333853; PATULIN(RG); 1346-36-7; CHEMBL4848517; CHEBI:234537; Indolo(2,3-a)quinolizine, corynan-16-carboxylic acid deriv; Indolo[2,3-a]quinolizine, corynan-16-carboxylic acid deriv; methyl (16E)-9-methoxy-16-(methoxymethylidene)coryn-18-en-17-oate; 9-methoxycorynantheine
化合物 Paynantheine · CAS 4697-66-9 · C23H28N2O4. UNII YLG43M4U5V.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 化合物 Paynantheine