[(1aS,2S,6S,6aS)-1a,1b,2,5a,6,6a-Hexahydro-6-[(4-hydroxy-3-methoxybenzoyl)oxy]-1aβ-(hydroxymethyl)oxireno[4,5]cyclopenta[1,2-c]pyran-2-yl]β-D-glucopyranoside (CAS 34779-62-9) — formula C23H28O13, molecular weight 512.5; category organic chemicals.
| CAS Number | 34779-62-9 |
|---|---|
| Molecular Formula | C23H28O13 |
| Molecular Weight | 512.5 |
| LogP | -1.4 |
| Category | Organic Chemicals |
[(1aS,2S,6S,6aS)-1a,1b,2,5a,6,6a-Hexahydro-6-[(4-hydroxy-3-methoxybenzoyl)oxy]-1aβ-(hydroxymethyl)oxireno[4,5]cyclopenta[1,2-c]pyran-2-yl]β-D-glucopyranoside is a carbon-based organic compound with CAS registry number 34779-62-9 and molecular formula C23H28O13 (molecular weight 512.5), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 34779-62-9
Its molecular formula C23H28O13 comprises 23 C, 28 H, 13 O atoms.
Also known as: [(1aS,2S,6S,6aS)-1a,1b,2,5a,6,6a-Hexahydro-6-[(4-hydroxy-3-methoxybenzoyl)oxy]-1aβ-(hydroxymethyl)oxireno[4,5]cyclopenta[1,2-c]pyran-2-yl]β-D-glucopyranoside · [(1aS,2S,6S,6aS)-1a,1b,2,5a,6,6a-六氢-6-[(4-羟基-3-甲氧基苯甲酰基)氧基]-1aβ-(羟甲基)环氧并[4,5]环戊[1,2-c]吡喃-2-基]β-D-吡喃葡萄糖苷
Category: organic chemicals
The CAS registry number of [(1aS,2S,6S,6aS)-1a,1b,2,5a,6,6a-Hexahydro-6-[(4-hydroxy-3-methoxybenzoyl)oxy]-1aβ-(hydroxymethyl)oxireno[4,5]cyclopenta[1,2-c]pyran-2-yl]β-D-glucopyranoside is 34779-62-9.
Molecular formula C23H28O13, molecular weight 512.5.
It is also registered under: [(1aS,2S,6S,6aS)-1a,1b,2,5a,6,6a-Hexahydro-6-[(4-hydroxy-3-methoxybenzoyl)oxy]-1aβ-(hydroxymethyl)oxireno[4,5]cyclopenta[1,2-c]pyran-2-yl]β-D-glucopyranoside, [(1aS,2S,6S,6aS)-1a,1b,2,5a,6,6a-六氢-6-[(4-羟基-3-甲氧基苯甲酰基)氧基]-1aβ-(羟甲基)环氧并[4,5]环戊[1,2-c]吡喃-2-基]β-D-吡喃葡萄糖苷.
Category: Organic Chemicals.
Independent reference data for [(1aS,2S,6S,6aS)-1a,1b,2,5a,6,6a-Hexahydro-6-[(4-hydroxy-3-methoxybenzoyl)oxy]-1aβ-(hydroxymethyl)oxireno[4,5]cyclopenta[1,2-c]pyran-2-yl]β-D-glucopyranoside (CAS 34779-62-9), compiled from public chemistry databases.
| CAS 号 | 34779-62-9 |
|---|---|
| PubChem CID | 101306913 |
| 分子式 | C23H28O13 |
| IUPAC 名称 | [(2S,4S,5S,10S)-2-(hydroxymethyl)-10-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-5-yl] 4-hydroxy-3-methoxybenzoate |
| Molecular Weight | 512.5 |
|---|---|
| XLogP3 | -1.4 |
| Hydrogen Bond Donor Count | 6 |
| Hydrogen Bond Acceptor Count | 13 |
| Rotatable Bond Count | 8 |
| Exact Mass | 512.15299094 |
| Monoisotopic Mass | 512.15299094 |
| Topological Polar Surface Area | 197 |
| Heavy Atom Count | 36 |
Amphicoside; DTXSID90904225; 34779-62-9; RefChem:112292; DTXCID301333374; SCHEMBL29426003
[(1aS,2S,6S,6aS)-1a,1b,2,5a,6,6a-六氢-6-[(4-羟基-3-甲氧基苯甲酰基)氧基]-1aβ-(羟甲基)环氧并[4,5]环戊[1,2-c]吡喃-2-基]β-D-吡喃葡萄糖苷 · CAS 34779-62-9 · C23H28O13.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.