(1R,2S,6S,9S)-9-methyl-2-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-oxabicyclo[4.3.0]non-4-ene-5-carboxylic acid (CAS 22487-36-1) — formula C16H24O9, molecular weight 360.36; category organic chemicals.
| CAS Number | 22487-36-1 |
|---|---|
| Molecular Formula | C16H24O9 |
| Molecular Weight | 360.36 |
| LogP | -0.4 |
| Category | Organic Chemicals |
(1R,2S,6S,9S)-9-methyl-2-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-oxabicyclo[4.3.0]non-4-ene-5-carboxylic acid is a carbon-based organic compound with CAS registry number 22487-36-1 and molecular formula C16H24O9 (molecular weight 360.36), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 22487-36-1
Its molecular formula C16H24O9 comprises 16 C, 24 H, 9 O atoms.
Also known as: (1R,2S,6S,9S)-9-methyl-2-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-oxabicyclo[4.3.0]non-4-ene-5-carboxylic acid · 7-去氧马钱子酸
Category: organic chemicals
The CAS registry number of (1R,2S,6S,9S)-9-methyl-2-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-oxabicyclo[4.3.0]non-4-ene-5-carboxylic acid is 22487-36-1.
Molecular formula C16H24O9, molecular weight 360.36.
It is also registered under: (1R,2S,6S,9S)-9-methyl-2-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-oxabicyclo[4.3.0]non-4-ene-5-carboxylic acid, 7-去氧马钱子酸.
Category: Organic Chemicals.
Independent reference data for (1R,2S,6S,9S)-9-methyl-2-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-oxabicyclo[4.3.0]non-4-ene-5-carboxylic acid (CAS 22487-36-1), compiled from public chemistry databases.
| CAS 号 | 22487-36-1 |
|---|---|
| PubChem CID | 443322 |
| 分子式 | C16H24O9 |
| IUPAC 名称 | (1S,4aS,7S,7aR)-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylic acid |
| UNII（FDA） | SZ67QWR9D3 |
| Molecular Weight | 360.36 |
|---|---|
| XLogP3 | -0.4 |
| Hydrogen Bond Donor Count | 5 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 4 |
| Exact Mass | 360.14203234 |
| Monoisotopic Mass | 360.14203234 |
| Topological Polar Surface Area | 146 |
| Heavy Atom Count | 25 |
7-Deoxyloganic acid; Deoxyloganic acid; 22487-36-1; SZ67QWR9D3; CHEBI:2260; DTXSID40945163; RefChem:106025; DTXCID101373489; BISDEOXYDIHYDROMONOTROPEIN; C11636; bis-desoxydihydromonotropein; orb1991476; SCHEMBL20572414; AKOS040735291; Q19596786
7-去氧马钱子酸 · CAS 22487-36-1 · C16H24O9. UNII SZ67QWR9D3.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 7-去氧马钱子酸