(1S,2S,3aR,4S,5S,6E,9R,11R,12E,13aS)-1,2,3,4,5,8,9,10,11,13a-Decahydro-2,5,8,8,12-pentamethyl-3aH-cyclopentacyclododecene-1,3a,4,9,11-pentol 4,11-diacetate 1-benzoate (CAS 90052-87-2) — formula C31H42O8, molecular weight 542.7.
(1S,2S,3aR,4S,5S,6E,9R,11R,12E,13aS)-1,2,3,4,5,8,9,10,11,13a-Decahydro-2,5,8,8,12-pentamethyl-3aH-cyclopentacyclododecene-1,3a,4,9,11-pentol 4,11-diacetate 1-benzoate (CAS 90052-87-2) is classified under Food Additives, with molecular formula C31H42O8 and molecular weight 542.7, 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 (1S,2S,3aR,4S,5S,6E,9R,11R,12E,13aS)-1,2,3,4,5,8,9,10,11,13a-Decahydro-2,5,8,8,12-pentamethyl-3aH-cyclopentacyclododecene-1,3a,4,9,11-pentol 4,11-diacetate 1-benzoate at commercial scale with stable lot-to-lot quality, accompanied by COA and full specification documentation. Typical categorization: Food Additives.
| CAS Number | 90052-87-2 |
|---|---|
| Molecular Formula | C31H42O8 |
| Molecular Weight | 542.7 |
| LogP | 4.6 |
(1S,2S,3aR,4S,5S,6E,9R,11R,12E,13aS)-1,2,3,4,5,8,9,10,11,13a-Decahydro-2,5,8,8,12-pentamethyl-3aH-cyclopentacyclododecene-1,3a,4,9,11-pentol 4,11-diacetate 1-benzoate is a chemical compound with CAS registry number 90052-87-2 and molecular formula C31H42O8 (molecular weight 542.7).
CAS number: 90052-87-2
Its molecular formula C31H42O8 comprises 31 C, 42 H, 8 O atoms.
Also known as: (1S,2S,3aR,4S,5S,6E,9R,11R,12E,13aS)-1,2,3,4,5,8,9,10,11,13a-Decahydro-2,5,8,8,12-pentamethyl-3aH-cyclopentacyclododecene-1,3a,4,9,11-pentol 4,11-diacetate 1-benzoate · (1S,2S,3aR,4S,5S,6E,9R,11R,12E,13aS)-1,2,3,4,5,8,9,10,11,13a-十氢-2,5,8,8,12-五甲基-3aH-环五环十二烯-1,3a,4,9,11-戊醇4,11-二乙酸酯1-苯甲酸盐
The CAS registry number of (1S,2S,3aR,4S,5S,6E,9R,11R,12E,13aS)-1,2,3,4,5,8,9,10,11,13a-Decahydro-2,5,8,8,12-pentamethyl-3aH-cyclopentacyclododecene-1,3a,4,9,11-pentol 4,11-diacetate 1-benzoate is 90052-87-2.
Molecular formula C31H42O8, molecular weight 542.7.
It is also registered under: (1S,2S,3aR,4S,5S,6E,9R,11R,12E,13aS)-1,2,3,4,5,8,9,10,11,13a-Decahydro-2,5,8,8,12-pentamethyl-3aH-cyclopentacyclododecene-1,3a,4,9,11-pentol 4,11-diacetate 1-benzoate, (1S,2S,3aR,4S,5S,6E,9R,11R,12E,13aS)-1,2,3,4,5,8,9,10,11,13a-十氢-2,5,8,8,12-五甲基-3aH-环五环十二烯-1,3a,4,9,11-戊醇4,11-二乙酸酯1-苯甲酸盐.
Independent reference data for (1S,2S,3aR,4S,5S,6E,9R,11R,12E,13aS)-1,2,3,4,5,8,9,10,11,13a-Decahydro-2,5,8,8,12-pentamethyl-3aH-cyclopentacyclododecene-1,3a,4,9,11-pentol 4,11-diacetate 1-benzoate (CAS 90052-87-2), compiled from public chemistry databases.
| CAS 号 | 90052-87-2 |
|---|---|
| PubChem CID | 21771753 |
| 分子式 | C31H42O8 |
| IUPAC 名称 | [(1S,2S,3aR,4S,5S,6E,9R,11R,12E,13aS)-4,11-diacetyloxy-3a,9-dihydroxy-2,5,8,8,12-pentamethyl-2,3,4,5,9,10,11,13a-octahydro-1H-cyclopenta[12]annulen-1-yl] benzoate |
| Molecular Weight | 542.7 |
|---|---|
| XLogP3 | 4.6 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 7 |
| Exact Mass | 542.28796829 |
| Monoisotopic Mass | 542.28796829 |
| Topological Polar Surface Area | 119 |
| Heavy Atom Count | 39 |
euphornin B; RefChem:139498; 90052-87-2; CHEMBL463643
(1S,2S,3aR,4S,5S,6E,9R,11R,12E,13aS)-1,2,3,4,5,8,9,10,11,13a-十氢-2,5,8,8,12-五甲基-3aH-环五环十二烯-1,3a,4,9,11-戊醇4,11-二乙酸酯1-苯甲酸盐 · CAS 90052-87-2 · C31H42O8.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.