1,1-O-(4,6-Dihydroxy-1,2-phenylenemethylene)-4-O-[6-O-(8-hydroxy-1-oxodeca-2,4,6-trienyl)-β-D-galactopyranosyl]-α-D-glucopyranose 3-(7-hydroxy-8,14-dimethylhexadeca-2,4,8,10-tetraenoate) (CAS 61036-48-4) — formula C47H64O17, molecular weight 901.0; category organic chemicals.
| CAS Number | 61036-48-4 |
|---|---|
| Molecular Formula | C47H64O17 |
| Molecular Weight | 901.0 |
| LogP | 3.5 |
| Category | Organic Chemicals |
1,1-O-(4,6-Dihydroxy-1,2-phenylenemethylene)-4-O-[6-O-(8-hydroxy-1-oxodeca-2,4,6-trienyl)-β-D-galactopyranosyl]-α-D-glucopyranose 3-(7-hydroxy-8,14-dimethylhexadeca-2,4,8,10-tetraenoate) is a carbon-based organic compound with CAS registry number 61036-48-4 and molecular formula C47H64O17 (molecular weight 901.0), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 61036-48-4
Its molecular formula C47H64O17 comprises 47 C, 64 H, 17 O atoms.
Also known as: 1,1-O-(4,6-Dihydroxy-1,2-phenylenemethylene)-4-O-[6-O-(8-hydroxy-1-oxodeca-2,4,6-trienyl)-β-D-galactopyranosyl]-α-D-glucopyranose 3-(7-hydroxy-8,14-dimethylhexadeca-2,4,8,10-tetraenoate) · 1,1-O-(4,6-二羟基-1,2-亚苯基)-4-O-[6-O-(8-羟基-1-氧代癸基-2,4,6-三烯基)-β-D-吡喃半乳糖基]-α-D-吡喃葡萄糖3-(7-羟基-8,14-二甲基十六-2,4,8,10-四烯酸酯)
Category: organic chemicals
The CAS registry number of 1,1-O-(4,6-Dihydroxy-1,2-phenylenemethylene)-4-O-[6-O-(8-hydroxy-1-oxodeca-2,4,6-trienyl)-β-D-galactopyranosyl]-α-D-glucopyranose 3-(7-hydroxy-8,14-dimethylhexadeca-2,4,8,10-tetraenoate) is 61036-48-4.
Molecular formula C47H64O17, molecular weight 901.0.
It is also registered under: 1,1-O-(4,6-Dihydroxy-1,2-phenylenemethylene)-4-O-[6-O-(8-hydroxy-1-oxodeca-2,4,6-trienyl)-β-D-galactopyranosyl]-α-D-glucopyranose 3-(7-hydroxy-8,14-dimethylhexadeca-2,4,8,10-tetraenoate), 1,1-O-(4,6-二羟基-1,2-亚苯基)-4-O-[6-O-(8-羟基-1-氧代癸基-2,4,6-三烯基)-β-D-吡喃半乳糖基]-α-D-吡喃葡萄糖3-(7-羟基-8,14-二甲基十六-2,4,8,10-四烯酸酯).
Category: Organic Chemicals.
Independent reference data for 1,1-O-(4,6-Dihydroxy-1,2-phenylenemethylene)-4-O-[6-O-(8-hydroxy-1-oxodeca-2,4,6-trienyl)-β-D-galactopyranosyl]-α-D-glucopyranose 3-(7-hydroxy-8,14-dimethylhexadeca-2,4,8,10-tetraenoate) (CAS 61036-48-4), compiled from public chemistry databases.
| CAS 号 | 61036-48-4 |
|---|---|
| PubChem CID | 71296172 |
| 分子式 | C47H64O17 |
| IUPAC 名称 | [(3S,3'R,4'R,5'R,6'R)-3',4,6-trihydroxy-6'-(hydroxymethyl)-5'-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[[(2E,4E,6E)-8-hydroxydeca-2,4,6-trienoyl]oxymethyl]oxan-2-yl]oxyspiro[1H-2-benzofuran-3,2'-oxane]-4'-yl] (2E,4E,7S,8E,10E,14S)-7-hydroxy-8,14-dimethylhexadeca-2,4,8,10-tetraenoate |
| Molecular Weight | 901.0 |
|---|---|
| XLogP3 | 3.5 |
| Hydrogen Bond Donor Count | 9 |
| Hydrogen Bond Acceptor Count | 17 |
| Rotatable Bond Count | 23 |
| Exact Mass | 900.41435057 |
| Monoisotopic Mass | 900.41435057 |
| Topological Polar Surface Area | 272 |
| Heavy Atom Count | 64 |
Papulacandin C; CHEBI:72622; 61036-48-4; RefChem:169938; papulacandin-C; CHEMBL4756270; Q27140025
1,1-O-(4,6-二羟基-1,2-亚苯基)-4-O-[6-O-(8-羟基-1-氧代癸基-2,4,6-三烯基)-β-D-吡喃半乳糖基]-α-D-吡喃葡萄糖3-(7-羟基-8,14-二甲基十六-2,4,8,10-四烯酸酯) · CAS 61036-48-4 · C47H64O17.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.