(3R,10R)-5aβ-(Acetoxymethyl)-3,4,5,5a,6,7,8,9-octahydro-2,2,9β-trimethyl-2H-3β,9aβ-methano-1-benzoxepine-4β,5β,6β,7β,10-pentol 5,10-diacetate 4,6,7-tribenzoate (CAS 60389-86-8) — formula C42H44O13, molecular weight 756.8.
(3R,10R)-5aβ-(Acetoxymethyl)-3,4,5,5a,6,7,8,9-octahydro-2,2,9β-trimethyl-2H-3β,9aβ-methano-1-benzoxepine-4β,5β,6β,7β,10-pentol 5,10-diacetate 4,6,7-tribenzoate (CAS 60389-86-8) is classified under Food Additives, with molecular formula C42H44O13 and molecular weight 756.8, 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 (3R,10R)-5aβ-(Acetoxymethyl)-3,4,5,5a,6,7,8,9-octahydro-2,2,9β-trimethyl-2H-3β,9aβ-methano-1-benzoxepine-4β,5β,6β,7β,10-pentol 5,10-diacetate 4,6,7-tribenzoate at commercial scale with stable lot-to-lot quality, accompanied by COA and full specification documentation. Typical categorization: Food Additives.
| CAS Number | 60389-86-8 |
|---|---|
| Molecular Formula | C42H44O13 |
| Molecular Weight | 756.8 |
| LogP | 6.1 |
(3R,10R)-5aβ-(Acetoxymethyl)-3,4,5,5a,6,7,8,9-octahydro-2,2,9β-trimethyl-2H-3β,9aβ-methano-1-benzoxepine-4β,5β,6β,7β,10-pentol 5,10-diacetate 4,6,7-tribenzoate is a chemical compound with CAS registry number 60389-86-8 and molecular formula C42H44O13 (molecular weight 756.8).
CAS number: 60389-86-8
Its molecular formula C42H44O13 comprises 42 C, 44 H, 13 O atoms.
Also known as: (3R,10R)-5aβ-(Acetoxymethyl)-3,4,5,5a,6,7,8,9-octahydro-2,2,9β-trimethyl-2H-3β,9aβ-methano-1-benzoxepine-4β,5β,6β,7β,10-pentol 5,10-diacetate 4,6,7-tribenzoate · (3R,10R)-5aβ-(乙酰氧基甲基)-3,4,5,5a,6,7,8,9-八氢-2,2,9β-三甲基-2H-3β,9aβ-甲烷-1-苯并氧杂环庚烷-4β,5β,6β,7β,10-戊醇 5,10-二乙酸酯 4,6,7-三苯甲酸酯
The CAS registry number of (3R,10R)-5aβ-(Acetoxymethyl)-3,4,5,5a,6,7,8,9-octahydro-2,2,9β-trimethyl-2H-3β,9aβ-methano-1-benzoxepine-4β,5β,6β,7β,10-pentol 5,10-diacetate 4,6,7-tribenzoate is 60389-86-8.
Molecular formula C42H44O13, molecular weight 756.8.
It is also registered under: (3R,10R)-5aβ-(Acetoxymethyl)-3,4,5,5a,6,7,8,9-octahydro-2,2,9β-trimethyl-2H-3β,9aβ-methano-1-benzoxepine-4β,5β,6β,7β,10-pentol 5,10-diacetate 4,6,7-tribenzoate, (3R,10R)-5aβ-(乙酰氧基甲基)-3,4,5,5a,6,7,8,9-八氢-2,2,9β-三甲基-2H-3β,9aβ-甲烷-1-苯并氧杂环庚烷-4β,5β,6β,7β,10-戊醇 5,10-二乙酸酯 4,6,7-三苯甲酸酯.
Independent reference data for (3R,10R)-5aβ-(Acetoxymethyl)-3,4,5,5a,6,7,8,9-octahydro-2,2,9β-trimethyl-2H-3β,9aβ-methano-1-benzoxepine-4β,5β,6β,7β,10-pentol 5,10-diacetate 4,6,7-tribenzoate (CAS 60389-86-8), compiled from public chemistry databases.
| CAS 号 | 60389-86-8 |
|---|---|
| PubChem CID | 57509354 |
| 分子式 | C42H44O13 |
| IUPAC 名称 | [(1S,2R,4S,5R,6S,7S,8R,9R,12R)-7,12-diacetyloxy-6-(acetyloxymethyl)-5,8-dibenzoyloxy-2,10,10-trimethyl-11-oxatricyclo[7.2.1.01,6]dodecan-4-yl] benzoate |
| UNII（FDA） | NS00097497 |
| Molecular Weight | 756.8 |
|---|---|
| XLogP3 | 6.1 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 13 |
| Rotatable Bond Count | 16 |
| Exact Mass | 756.27819145 |
| Monoisotopic Mass | 756.27819145 |
| Topological Polar Surface Area | 167 |
| Heavy Atom Count | 55 |
Alatolin; 60389-86-8; orb1992081; CHEMBL4591903; AKOS040734662; NCGC00385150-01; NS00097497; T124567
(3R,10R)-5aβ-(乙酰氧基甲基)-3,4,5,5a,6,7,8,9-八氢-2,2,9β-三甲基-2H-3β,9aβ-甲烷-1-苯并氧杂环庚烷-4β,5β,6β,7β,10-戊醇 5,10-二乙酸酯 4,6,7-三苯甲酸酯 · CAS 60389-86-8 · C42H44O13. UNII NS00097497.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.