methyl (1S,4aS,5R,7S,7aS)-7-(acetyloxy)-1-(beta-D-glucopyranosyloxy)-5-hydroxy-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate (CAS 57420-46-9) — formula C19H28O12, molecular weight 448.4; category organic chemicals.
| CAS Number | 57420-46-9 |
|---|---|
| Molecular Formula | C19H28O12 |
| Molecular Weight | 448.4 |
| LogP | -2 |
| Category | Organic Chemicals |
methyl (1S,4aS,5R,7S,7aS)-7-(acetyloxy)-1-(beta-D-glucopyranosyloxy)-5-hydroxy-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate is a carbon-based organic compound with CAS registry number 57420-46-9 and molecular formula C19H28O12 (molecular weight 448.4), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 57420-46-9
Its molecular formula C19H28O12 comprises 19 C, 28 H, 12 O atoms.
Also known as: methyl (1S,4aS,5R,7S,7aS)-7-(acetyloxy)-1-(beta-D-glucopyranosyloxy)-5-hydroxy-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate · 8-O-乙酰山栀苷甲酯
Category: organic chemicals
The CAS registry number of methyl (1S,4aS,5R,7S,7aS)-7-(acetyloxy)-1-(beta-D-glucopyranosyloxy)-5-hydroxy-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate is 57420-46-9.
Molecular formula C19H28O12, molecular weight 448.4.
It is also registered under: methyl (1S,4aS,5R,7S,7aS)-7-(acetyloxy)-1-(beta-D-glucopyranosyloxy)-5-hydroxy-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate, 8-O-乙酰山栀苷甲酯.
Category: Organic Chemicals.
Independent reference data for methyl (1S,4aS,5R,7S,7aS)-7-(acetyloxy)-1-(beta-D-glucopyranosyloxy)-5-hydroxy-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate (CAS 57420-46-9), compiled from public chemistry databases.
| CAS 号 | 57420-46-9 |
|---|---|
| PubChem CID | 162823 |
| 分子式 | C19H28O12 |
| IUPAC 名称 | methyl (1S,4aS,5R,7S,7aS)-7-acetyloxy-5-hydroxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carboxylate |
| Molecular Weight | 448.4 |
|---|---|
| XLogP3 | -2 |
| Hydrogen Bond Donor Count | 5 |
| Hydrogen Bond Acceptor Count | 12 |
| Rotatable Bond Count | 7 |
| Exact Mass | 448.15807632 |
| Monoisotopic Mass | 448.15807632 |
| Topological Polar Surface Area | 181 |
| Heavy Atom Count | 31 |
57420-46-9; Barlerin; 8-O-Acetyl shanzhiside methyl ester; Ac-Shanz-ME; DTXSID80206008; RefChem:916719; DTXCID40128499; 8-O-Acetylshanzhiside methyl ester; 5b-Dihydro Finasteride; MFCD15071141; 172922-52-0; 8-Acetylshanzhiside methyl ester; Umbroside; 8-O-acetyl shanzhiside methylester; 5beta-Dihydro Finasteride; Barlerin (Standard)
8-O-乙酰山栀苷甲酯 · CAS 57420-46-9 · C19H28O12.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 8-O-乙酰山栀苷甲酯