[3aR-[3aalpha,4alpha(S*),5beta,6aalpha]]-4-(2-bromo-5-cyclohexyl-3-hydroxypent-1-enyl)hexahydro-2-oxo-2H-cyclopenta[b]furan-5-yl benzoate (CAS 94157-84-3) — formula C25H31BrO5, molecular weight 491.4.
[3aR-[3aalpha,4alpha(S*),5beta,6aalpha]]-4-(2-bromo-5-cyclohexyl-3-hydroxypent-1-enyl)hexahydro-2-oxo-2H-cyclopenta[b]furan-5-yl benzoate (CAS 94157-84-3) is classified under Food Additives, with molecular formula C25H31BrO5 and molecular weight 491.4, 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 [3aR-[3aalpha,4alpha(S*),5beta,6aalpha]]-4-(2-bromo-5-cyclohexyl-3-hydroxypent-1-enyl)hexahydro-2-oxo-2H-cyclopenta[b]furan-5-yl benzoate at commercial scale with stable lot-to-lot quality, accompanied by COA and full specification documentation. Typical categorization: Food Additives.
| CAS Number | 94157-84-3 |
|---|---|
| Molecular Formula | C25H31BrO5 |
| Molecular Weight | 491.4 |
| LogP | 5.7 |
[3aR-[3aalpha,4alpha(S*),5beta,6aalpha]]-4-(2-bromo-5-cyclohexyl-3-hydroxypent-1-enyl)hexahydro-2-oxo-2H-cyclopenta[b]furan-5-yl benzoate is a chemical compound with CAS registry number 94157-84-3 and molecular formula C25H31BrO5 (molecular weight 491.4).
CAS number: 94157-84-3
Its molecular formula C25H31BrO5 comprises 25 C, 31 H, 1 Br, 5 O atoms.
Also known as: [3aR-[3aalpha,4alpha(S*),5beta,6aalpha]]-4-(2-bromo-5-cyclohexyl-3-hydroxypent-1-enyl)hexahydro-2-oxo-2H-cyclopenta[b]furan-5-yl benzoate · [3aR-[3aα,4α(S*),5β,6aα]]-4-(2-溴-5-环己基-3-羟基戊-1-烯基)六氢-2-氧代-2H-环戊[b]呋喃-5-基苯甲酸酯
The CAS registry number of [3aR-[3aalpha,4alpha(S*),5beta,6aalpha]]-4-(2-bromo-5-cyclohexyl-3-hydroxypent-1-enyl)hexahydro-2-oxo-2H-cyclopenta[b]furan-5-yl benzoate is 94157-84-3.
Molecular formula C25H31BrO5, molecular weight 491.4.
It is also registered under: [3aR-[3aalpha,4alpha(S*),5beta,6aalpha]]-4-(2-bromo-5-cyclohexyl-3-hydroxypent-1-enyl)hexahydro-2-oxo-2H-cyclopenta[b]furan-5-yl benzoate, [3aR-[3aα,4α(S*),5β,6aα]]-4-(2-溴-5-环己基-3-羟基戊-1-烯基)六氢-2-氧代-2H-环戊[b]呋喃-5-基苯甲酸酯.
Independent reference data for [3aR-[3aalpha,4alpha(S*),5beta,6aalpha]]-4-(2-bromo-5-cyclohexyl-3-hydroxypent-1-enyl)hexahydro-2-oxo-2H-cyclopenta[b]furan-5-yl benzoate (CAS 94157-84-3), compiled from public chemistry databases.
| CAS 号 | 94157-84-3 |
|---|---|
| PubChem CID | 44144658 |
| 分子式 | C25H31BrO5 |
| IUPAC 名称 | [(3aR,4S,5R,6aS)-4-[(Z)-2-bromo-5-cyclohexyl-3-hydroxypent-1-enyl]-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-5-yl] benzoate |
| UNII（FDA） | NS00040170 |
| Molecular Weight | 491.4 |
|---|---|
| XLogP3 | 5.7 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 8 |
| Exact Mass | 490.13549 |
| Monoisotopic Mass | 490.13549 |
| Topological Polar Surface Area | 72.8 |
| Heavy Atom Count | 31 |
EINECS 303-052-5; 94157-84-3; DTXSID10240814; RefChem:69152; DTXCID40163305; 303-052-5; NS00040170
[3aR-[3aα,4α(S*),5β,6aα]]-4-(2-溴-5-环己基-3-羟基戊-1-烯基)六氢-2-氧代-2H-环戊[b]呋喃-5-基苯甲酸酯 · CAS 94157-84-3 · C25H31BrO5. UNII NS00040170.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: [3aR-[3aα,4α(S*),5β,6aα]]-4-(2-溴-5-环己基-3-羟基戊-1-烯基)六氢-2-氧代-2H-环戊[b]呋喃-5-基苯甲酸酯