(2S,2'S,3R)-2'-(3,4-Dihydroxyphenyl)-7'-(β-D-glucopyranosyloxy)-2,2',3,3'-tetrahydro-5,5',7-trihydroxy-2-(4-hydroxyphenyl)-3,8'-bi-(4H-1-benzopyran)-4,4'-dione (CAS 31654-49-6) — formula C36H32O16, molecular weight 720.6; category organic chemicals.
| CAS Number | 31654-49-6 |
|---|---|
| Molecular Formula | C36H32O16 |
| Molecular Weight | 720.6 |
| Melting Point | 219 °C |
| LogP | 2.4 |
| Category | Organic Chemicals |
(2S,2'S,3R)-2'-(3,4-Dihydroxyphenyl)-7'-(β-D-glucopyranosyloxy)-2,2',3,3'-tetrahydro-5,5',7-trihydroxy-2-(4-hydroxyphenyl)-3,8'-bi-(4H-1-benzopyran)-4,4'-dione is a carbon-based organic compound with CAS registry number 31654-49-6 and molecular formula C36H32O16 (molecular weight 720.6), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 31654-49-6
Its molecular formula C36H32O16 comprises 36 C, 32 H, 16 O atoms.
Also known as: (2S,2'S,3R)-2'-(3,4-Dihydroxyphenyl)-7'-(β-D-glucopyranosyloxy)-2,2',3,3'-tetrahydro-5,5',7-trihydroxy-2-(4-hydroxyphenyl)-3,8'-bi-(4H-1-benzopyran)-4,4'-dione · (2S,2'S,3R)-2'-(3,4-二羟基苯基)-7'-(β-D-吡喃葡萄糖氧基)-2,2',3,3'-四氢-5,5',7-三羟基-2-(4-羟基苯基)-3,8'-双-(4H-1-苯并吡喃)-4,4'-二酮
Category: organic chemicals
The CAS registry number of (2S,2'S,3R)-2'-(3,4-Dihydroxyphenyl)-7'-(β-D-glucopyranosyloxy)-2,2',3,3'-tetrahydro-5,5',7-trihydroxy-2-(4-hydroxyphenyl)-3,8'-bi-(4H-1-benzopyran)-4,4'-dione is 31654-49-6.
Molecular formula C36H32O16, molecular weight 720.6.
It is also registered under: (2S,2'S,3R)-2'-(3,4-Dihydroxyphenyl)-7'-(β-D-glucopyranosyloxy)-2,2',3,3'-tetrahydro-5,5',7-trihydroxy-2-(4-hydroxyphenyl)-3,8'-bi-(4H-1-benzopyran)-4,4'-dione, (2S,2'S,3R)-2'-(3,4-二羟基苯基)-7'-(β-D-吡喃葡萄糖氧基)-2,2',3,3'-四氢-5,5',7-三羟基-2-(4-羟基苯基)-3,8'-双-(4H-1-苯并吡喃)-4,4'-二酮.
Category: Organic Chemicals.
Independent reference data for (2S,2'S,3R)-2'-(3,4-Dihydroxyphenyl)-7'-(β-D-glucopyranosyloxy)-2,2',3,3'-tetrahydro-5,5',7-trihydroxy-2-(4-hydroxyphenyl)-3,8'-bi-(4H-1-benzopyran)-4,4'-dione (CAS 31654-49-6), compiled from public chemistry databases.
| CAS 号 | 31654-49-6 |
|---|---|
| PubChem CID | 78187444 |
| 分子式 | C36H32O16 |
| IUPAC 名称 | 8-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-2,3-dihydrochromen-3-yl]-2-(3,4-dihydroxyphenyl)-5-hydroxy-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-4-one |
| Molecular Weight | 720.6 |
|---|---|
| XLogP3 | 2.4 |
| Hydrogen Bond Donor Count | 10 |
| Hydrogen Bond Acceptor Count | 16 |
| Rotatable Bond Count | 6 |
| Exact Mass | 720.16903493 |
| Monoisotopic Mass | 720.16903493 |
| Topological Polar Surface Area | 273 |
| Heavy Atom Count | 52 |
| Melting Point | 219 °C |
|---|
(2S,2'S,3R)-2'-(3,4-二羟基苯基)-7'-(β-D-吡喃葡萄糖氧基)-2,2',3,3'-四氢-5,5',7-三羟基-2-(4-羟基苯基)-3,8'-双-(4H-1-苯并吡喃)-4,4'-二酮 · CAS 31654-49-6 · C36H32O16. Melting Point: 219 °C.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.