(3aR,3'aR,8aS,8'aS)-2,2',3,3',8,8',8a,8'a-Octahydro-1,1',8-trimethyl-3a,3'a(1H,1'H)-bipyrrolo[2,3-b]indole (CAS 5516-85-8) — formula C23H28N4, molecular weight 360.5; category organic chemicals.
| CAS Number | 5516-85-8 |
|---|---|
| Molecular Formula | C23H28N4 |
| Molecular Weight | 360.5 |
| LogP | 4.1 |
| Category | Organic Chemicals |
(3aR,3'aR,8aS,8'aS)-2,2',3,3',8,8',8a,8'a-Octahydro-1,1',8-trimethyl-3a,3'a(1H,1'H)-bipyrrolo[2,3-b]indole is a carbon-based organic compound with CAS registry number 5516-85-8 and molecular formula C23H28N4 (molecular weight 360.5), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 5516-85-8
Its molecular formula C23H28N4 comprises 23 C, 28 H, 4 N atoms.
Also known as: (3aR,3'aR,8aS,8'aS)-2,2',3,3',8,8',8a,8'a-Octahydro-1,1',8-trimethyl-3a,3'a(1H,1'H)-bipyrrolo[2,3-b]indole · 蜡梅定
Category: organic chemicals
The CAS registry number of (3aR,3'aR,8aS,8'aS)-2,2',3,3',8,8',8a,8'a-Octahydro-1,1',8-trimethyl-3a,3'a(1H,1'H)-bipyrrolo[2,3-b]indole is 5516-85-8.
Molecular formula C23H28N4, molecular weight 360.5.
It is also registered under: (3aR,3'aR,8aS,8'aS)-2,2',3,3',8,8',8a,8'a-Octahydro-1,1',8-trimethyl-3a,3'a(1H,1'H)-bipyrrolo[2,3-b]indole, 蜡梅定.
Category: Organic Chemicals.
Independent reference data for (3aR,3'aR,8aS,8'aS)-2,2',3,3',8,8',8a,8'a-Octahydro-1,1',8-trimethyl-3a,3'a(1H,1'H)-bipyrrolo[2,3-b]indole (CAS 5516-85-8), compiled from public chemistry databases.
| CAS 号 | 5516-85-8 |
|---|---|
| PubChem CID | 442031 |
| 分子式 | C23H28N4 |
| IUPAC 名称 | (3aS,8bR)-8b-[(3aR,8bR)-3-methyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-8b-yl]-3,4-dimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indole |
| UNII（FDA） | YRT94KMX97 |
| Molecular Weight | 360.5 |
|---|---|
| XLogP3 | 4.1 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 1 |
| Exact Mass | 360.23139691 |
| Monoisotopic Mass | 360.23139691 |
| Topological Polar Surface Area | 21.8 |
| Heavy Atom Count | 27 |
(+)-calycanthidine; (3aR,3a'R,8aS,8a'R)-1,1',8-trimethyl-2,2',3,3',8,8',8a,8a'-octahydro-1H,1'H-3a,3a'-bipyrrolo[2,3-b]indole; calycanthidine, (+)-; YRT94KMX97; CHEBI:3332; orb2893312; SCHEMBL30555832; DTXSID90970501; TN8715; NS00093872; C09097; Q27106028; (3aR,3'aR,8aS,8'aR)-1,1',8-Trimethyl-2,2',3,3',8,8',8a,8'a-octahydro-1H,1'H-3a,3'a-bipyrrolo[2,3-b]indole; (3aR,3'aR,8aS,8'aR)-2,2',3,3',8,8',8a,8'a-Octahydro-1,1',8-trimethyl-3a,3'a(1H,1'H)-bipyrrolo[2,3-b]indole; 1,1',8-Trimethyl-2,2',3,3',8,8',8a,8'a-octahydro-1H,1'H-3a,3'a-bipyrrolo[2,3-b]indole
蜡梅定 · CAS 5516-85-8 · C23H28N4. UNII YRT94KMX97.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 蜡梅定