[(1R,2R,3R,4Z,9R,10Z,12S,13S,14R)-1,2-diacetyloxy-9-hydroxy-3,6,6,10,1 4-pentamethyl-7-oxo-13-bicyclo[10.3.0]pentadeca-4,10-dienyl] benzoate (CAS 81542-94-1) — formula C31H40O8, molecular weight 540.6.
[(1R,2R,3R,4Z,9R,10Z,12S,13S,14R)-1,2-diacetyloxy-9-hydroxy-3,6,6,10,1 4-pentamethyl-7-oxo-13-bicyclo[10.3.0]pentadeca-4,10-dienyl] benzoate (CAS 81542-94-1) is classified under Food Additives, with molecular formula C31H40O8 and molecular weight 540.6, and serves as a key raw material in the food and beverage industry — commonly applied as a food additive, nutritional supplement, or processing aid where regulatory-grade purity is required. Jinan Shenghe Chemical Co., Ltd. supplies [(1R,2R,3R,4Z,9R,10Z,12S,13S,14R)-1,2-diacetyloxy-9-hydroxy-3,6,6,10,1 4-pentamethyl-7-oxo-13-bicyclo[10.3.0]pentadeca-4,10-dienyl] benzoate at commercial scale with stable lot-to-lot quality, accompanied by COA and full specification documentation. Typical categorization: Food Additives.
| CAS Number | 81542-94-1 |
|---|---|
| Molecular Formula | C31H40O8 |
| Molecular Weight | 540.6 |
| LogP | 4.3 |
[(1R,2R,3R,4Z,9R,10Z,12S,13S,14R)-1,2-diacetyloxy-9-hydroxy-3,6,6,10,1 4-pentamethyl-7-oxo-13-bicyclo[10.3.0]pentadeca-4,10-dienyl] benzoate is a chemical compound with CAS registry number 81542-94-1 and molecular formula C31H40O8 (molecular weight 540.6).
CAS number: 81542-94-1
Its molecular formula C31H40O8 comprises 31 C, 40 H, 8 O atoms.
Also known as: [(1R,2R,3R,4Z,9R,10Z,12S,13S,14R)-1,2-diacetyloxy-9-hydroxy-3,6,6,10,1 4-pentamethyl-7-oxo-13-bicyclo[10.3.0]pentadeca-4,10-dienyl] benzoate · [(1R,2R,3R,4Z,9R,10Z,12S,13S,14R)-1,2-二乙酰氧基-9-羟基-3,6,6,10,1 4-五甲基-7-氧代-13-双环[10.3.0]十五-4,10-二烯基]苯甲酸酯
The CAS registry number of [(1R,2R,3R,4Z,9R,10Z,12S,13S,14R)-1,2-diacetyloxy-9-hydroxy-3,6,6,10,1 4-pentamethyl-7-oxo-13-bicyclo[10.3.0]pentadeca-4,10-dienyl] benzoate is 81542-94-1.
Molecular formula C31H40O8, molecular weight 540.6.
It is also registered under: [(1R,2R,3R,4Z,9R,10Z,12S,13S,14R)-1,2-diacetyloxy-9-hydroxy-3,6,6,10,1 4-pentamethyl-7-oxo-13-bicyclo[10.3.0]pentadeca-4,10-dienyl] benzoate, [(1R,2R,3R,4Z,9R,10Z,12S,13S,14R)-1,2-二乙酰氧基-9-羟基-3,6,6,10,1 4-五甲基-7-氧代-13-双环[10.3.0]十五-4,10-二烯基]苯甲酸酯.
Independent reference data for [(1R,2R,3R,4Z,9R,10Z,12S,13S,14R)-1,2-diacetyloxy-9-hydroxy-3,6,6,10,1 4-pentamethyl-7-oxo-13-bicyclo[10.3.0]pentadeca-4,10-dienyl] benzoate (CAS 81542-94-1), compiled from public chemistry databases.
| CAS 号 | 81542-94-1 |
|---|---|
| PubChem CID | 6440690 |
| 分子式 | C31H40O8 |
| IUPAC 名称 | [(1S,2R,3aR,4R,5R,6Z,11R,12Z,13aS)-3a,4-diacetyloxy-11-hydroxy-2,5,8,8,12-pentamethyl-9-oxo-1,2,3,4,5,10,11,13a-octahydrocyclopenta[12]annulen-1-yl] benzoate |
| Molecular Weight | 540.6 |
|---|---|
| XLogP3 | 4.3 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 7 |
| Exact Mass | 540.27231823 |
| Monoisotopic Mass | 540.27231823 |
| Topological Polar Surface Area | 116 |
| Heavy Atom Count | 39 |
[(1R,2R,3R,4Z,9R,10Z,12S,13S,14R)-1,2-二乙酰氧基-9-羟基-3,6,6,10,1 4-五甲基-7-氧代-13-双环[10.3.0]十五-4,10-二烯基]苯甲酸酯 · CAS 81542-94-1 · C31H40O8.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: [(1R,2R,3R,4Z,9R,10Z,12S,13S,14R)-1,2-二乙酰氧基-9-羟基-3,6,6,10,1 4-五甲基-7-氧代-13-双环[10.3.0]十五-4,10-二烯基]苯甲酸酯