1α-(β-D-Glucopyranosyloxy)-1,4a,5,6,7,7aα-hexahydro-4aα-hydroxy-7α-methyl-5-oxocyclopenta[c]pyran-4-carboxylic acid methyl ester (CAS 50816-24-5) — formula C17H24O11, molecular weight 404.4; category organic chemicals.
| CAS Number | 50816-24-5 |
|---|---|
| Molecular Formula | C17H24O11 |
| Molecular Weight | 404.4 |
| LogP | -1.7 |
| Category | Organic Chemicals |
1α-(β-D-Glucopyranosyloxy)-1,4a,5,6,7,7aα-hexahydro-4aα-hydroxy-7α-methyl-5-oxocyclopenta[c]pyran-4-carboxylic acid methyl ester is a carbon-based organic compound with CAS registry number 50816-24-5 and molecular formula C17H24O11 (molecular weight 404.4), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 50816-24-5
Its molecular formula C17H24O11 comprises 17 C, 24 H, 11 O atoms.
Also known as: 1α-(β-D-Glucopyranosyloxy)-1,4a,5,6,7,7aα-hexahydro-4aα-hydroxy-7α-methyl-5-oxocyclopenta[c]pyran-4-carboxylic acid methyl ester · 戟叶马鞭草苷
Category: organic chemicals
The CAS registry number of 1α-(β-D-Glucopyranosyloxy)-1,4a,5,6,7,7aα-hexahydro-4aα-hydroxy-7α-methyl-5-oxocyclopenta[c]pyran-4-carboxylic acid methyl ester is 50816-24-5.
Molecular formula C17H24O11, molecular weight 404.4.
It is also registered under: 1α-(β-D-Glucopyranosyloxy)-1,4a,5,6,7,7aα-hexahydro-4aα-hydroxy-7α-methyl-5-oxocyclopenta[c]pyran-4-carboxylic acid methyl ester, 戟叶马鞭草苷.
Category: Organic Chemicals.
Independent reference data for 1α-(β-D-Glucopyranosyloxy)-1,4a,5,6,7,7aα-hexahydro-4aα-hydroxy-7α-methyl-5-oxocyclopenta[c]pyran-4-carboxylic acid methyl ester (CAS 50816-24-5), compiled from public chemistry databases.
| CAS 号 | 50816-24-5 |
|---|---|
| PubChem CID | 92043450 |
| 分子式 | C17H24O11 |
| IUPAC 名称 | methyl (1S,4aR,7S,7aR)-4a-hydroxy-7-methyl-5-oxo-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,6,7,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate |
| UNII（FDA） | Y7WKJ7982U |
| Molecular Weight | 404.4 |
|---|---|
| XLogP3 | -1.7 |
| Hydrogen Bond Donor Count | 5 |
| Hydrogen Bond Acceptor Count | 11 |
| Rotatable Bond Count | 5 |
| Exact Mass | 404.13186158 |
| Monoisotopic Mass | 404.13186158 |
| Topological Polar Surface Area | 172 |
| Heavy Atom Count | 28 |
Hastatoside; 50816-24-5; 5-Hydroxyverbenalin; Y7WKJ7982U; CHEBI:178050; DTXSID30904209; RefChem:145320; DTXCID901333358; PRZVXHGUJJPSME-UHFFFAOYSA-N; MFCD09752811; Hastatoside (Standard); UNII-Y7WKJ7982U; orb1220716; orb1301520; orb3140081; SCHEMBL30819230
戟叶马鞭草苷 · CAS 50816-24-5 · C17H24O11. UNII Y7WKJ7982U.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 戟叶马鞭草苷