(1S)-1α-(β-D-Glucopyranosyloxy)-1,4aα,5,6,7,7aα-hexahydro-6β-(3-hydroxybenzoyloxy)-7α-methylcyclopenta[c]pyran-4-carboxylic acid (CAS 96087-14-8) — formula C23H28O12, molecular weight 496.5; category organic chemicals.
| CAS Number | 96087-14-8 |
|---|---|
| Molecular Formula | C23H28O12 |
| Molecular Weight | 496.5 |
| LogP | 0.2 |
| Category | Organic Chemicals |
(1S)-1α-(β-D-Glucopyranosyloxy)-1,4aα,5,6,7,7aα-hexahydro-6β-(3-hydroxybenzoyloxy)-7α-methylcyclopenta[c]pyran-4-carboxylic acid is a carbon-based organic compound with CAS registry number 96087-14-8 and molecular formula C23H28O12 (molecular weight 496.5), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 96087-14-8
Its molecular formula C23H28O12 comprises 23 C, 28 H, 12 O atoms.
Also known as: (1S)-1α-(β-D-Glucopyranosyloxy)-1,4aα,5,6,7,7aα-hexahydro-6β-(3-hydroxybenzoyloxy)-7α-methylcyclopenta[c]pyran-4-carboxylic acid · (1S,4AS,6R,7R,7aS)-6-((3-羟基苯甲酰基)氧基)-7-甲基-1-(((2S,3R,4S,5S,6R)-3,4,5-三羟基-6-(羟甲基)四氢-2H-吡喃-2-基)氧)-1,4a,5,6,7,7a-六氢环戊烷[c]吡喃-4-羧酸
Category: organic chemicals
The CAS registry number of (1S)-1α-(β-D-Glucopyranosyloxy)-1,4aα,5,6,7,7aα-hexahydro-6β-(3-hydroxybenzoyloxy)-7α-methylcyclopenta[c]pyran-4-carboxylic acid is 96087-14-8.
Molecular formula C23H28O12, molecular weight 496.5.
It is also registered under: (1S)-1α-(β-D-Glucopyranosyloxy)-1,4aα,5,6,7,7aα-hexahydro-6β-(3-hydroxybenzoyloxy)-7α-methylcyclopenta[c]pyran-4-carboxylic acid, (1S,4AS,6R,7R,7aS)-6-((3-羟基苯甲酰基)氧基)-7-甲基-1-(((2S,3R,4S,5S,6R)-3,4,5-三羟基-6-(羟甲基)四氢-2H-吡喃-2-基)氧)-1,4a,5,6,7,7a-六氢环戊烷[c]吡喃-4-羧酸.
Category: Organic Chemicals.
Independent reference data for (1S)-1α-(β-D-Glucopyranosyloxy)-1,4aα,5,6,7,7aα-hexahydro-6β-(3-hydroxybenzoyloxy)-7α-methylcyclopenta[c]pyran-4-carboxylic acid (CAS 96087-14-8), compiled from public chemistry databases.
| CAS 号 | 96087-14-8 |
|---|---|
| PubChem CID | 162881314 |
| 分子式 | C23H28O12 |
| IUPAC 名称 | 6-(3-hydroxybenzoyl)oxy-7-methyl-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylic acid |
| Molecular Weight | 496.5 |
|---|---|
| XLogP3 | 0.2 |
| Hydrogen Bond Donor Count | 6 |
| Hydrogen Bond Acceptor Count | 12 |
| Rotatable Bond Count | 7 |
| Exact Mass | 496.15807632 |
| Monoisotopic Mass | 496.15807632 |
| Topological Polar Surface Area | 192 |
| Heavy Atom Count | 35 |
96087-14-8; orb1943707; DTXSID701101305; T81057
(1S,4AS,6R,7R,7aS)-6-((3-羟基苯甲酰基)氧基)-7-甲基-1-(((2S,3R,4S,5S,6R)-3,4,5-三羟基-6-(羟甲基)四氢-2H-吡喃-2-基)氧)-1,4a,5,6,7,7a-六氢环戊烷[c]吡喃-4-羧酸 · CAS 96087-14-8 · C23H28O12.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.