(16R)-17-Hydroxy-16-(methoxycarbonyl)-4α-methylsarpagan-4-ium (CAS 6801-39-4) — formula C22H27N2O3+, molecular weight 367.5; category organic chemicals.
| CAS Number | 6801-39-4 |
|---|---|
| Molecular Formula | C22H27N2O3+ |
| Molecular Weight | 367.5 |
| LogP | 1.5 |
| Category | Organic Chemicals |
(16R)-17-Hydroxy-16-(methoxycarbonyl)-4α-methylsarpagan-4-ium is a carbon-based organic compound with CAS registry number 6801-39-4 and molecular formula C22H27N2O3+ (molecular weight 367.5), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 6801-39-4
Its molecular formula C22H27N2O3+ comprises 22 C, 27 H, 2 N, 3 O atoms.
Also known as: (16R)-17-Hydroxy-16-(methoxycarbonyl)-4α-methylsarpagan-4-ium · (16R)-17-羟基-16-(甲氧基羰基)-4α-甲基sarpagan-4-ium
Category: organic chemicals
The CAS registry number of (16R)-17-Hydroxy-16-(methoxycarbonyl)-4α-methylsarpagan-4-ium is 6801-39-4.
Molecular formula C22H27N2O3+, molecular weight 367.5.
It is also registered under: (16R)-17-Hydroxy-16-(methoxycarbonyl)-4α-methylsarpagan-4-ium, (16R)-17-羟基-16-(甲氧基羰基)-4α-甲基sarpagan-4-ium.
Category: Organic Chemicals.
Independent reference data for (16R)-17-Hydroxy-16-(methoxycarbonyl)-4α-methylsarpagan-4-ium (CAS 6801-39-4), compiled from public chemistry databases.
| CAS 号 | 6801-39-4 |
|---|---|
| PubChem CID | 91617759 |
| 分子式 | C22H27N2O3+ |
| IUPAC 名称 | methyl (1S,12S,13R,14S,15E,17R)-15-ethylidene-13-(hydroxymethyl)-17-methyl-3-aza-17-azoniapentacyclo[12.3.1.02,10.04,9.012,17]octadeca-2(10),4,6,8-tetraene-13-carboxylate |
| UNII（FDA） | PXX2QL95LV |
| Molecular Weight | 367.5 |
|---|---|
| XLogP3 | 1.5 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 3 |
| Exact Mass | 367.20216773 |
| Monoisotopic Mass | 367.20216773 |
| Topological Polar Surface Area | 62.3 |
| Heavy Atom Count | 27 |
Macusine A; Macusine A ion; Macusine A cation; PXX2QL95LV; Sarpaganium, 17-hydroxy-16-(methoxycarbonyl)-4-methyl-, (16R)-; 6801-39-4; RefChem:155060; Macusine A [MI]; UNII-PXX2QL95LV; Q27286813
(16R)-17-羟基-16-(甲氧基羰基)-4α-甲基sarpagan-4-ium · CAS 6801-39-4 · C22H27N2O3+. UNII PXX2QL95LV.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.