(3aR)-4,4a,7aα,8,9,9aα-Hexahydro-4α-(isovaleryloxy)-3β,4aβ,8α-trimethylazuleno[6,5-b]furan-2,5(3H,3aαH)-dione (CAS 34532-66-6) — formula C20H28O5, molecular weight 348.4; category organic chemicals.
| CAS Number | 34532-66-6 |
|---|---|
| Molecular Formula | C20H28O5 |
| Molecular Weight | 348.4 |
| LogP | 2.4 |
| Category | Organic Chemicals |
(3aR)-4,4a,7aα,8,9,9aα-Hexahydro-4α-(isovaleryloxy)-3β,4aβ,8α-trimethylazuleno[6,5-b]furan-2,5(3H,3aαH)-dione is a carbon-based organic compound with CAS registry number 34532-66-6 and molecular formula C20H28O5 (molecular weight 348.4), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 34532-66-6
Its molecular formula C20H28O5 comprises 20 C, 28 H, 5 O atoms.
Also known as: (3aR)-4,4a,7aα,8,9,9aα-Hexahydro-4α-(isovaleryloxy)-3β,4aβ,8α-trimethylazuleno[6,5-b]furan-2,5(3H,3aαH)-dione · (3aR)-4,4a,7aα,8,9,9aα-六氢-4α-(异戊酰氧基)-3β,4aβ,8α-三甲基甘蓝[6,5-b]呋喃-2,5(3H,3aαH)-二酮
Category: organic chemicals
The CAS registry number of (3aR)-4,4a,7aα,8,9,9aα-Hexahydro-4α-(isovaleryloxy)-3β,4aβ,8α-trimethylazuleno[6,5-b]furan-2,5(3H,3aαH)-dione is 34532-66-6.
Molecular formula C20H28O5, molecular weight 348.4.
It is also registered under: (3aR)-4,4a,7aα,8,9,9aα-Hexahydro-4α-(isovaleryloxy)-3β,4aβ,8α-trimethylazuleno[6,5-b]furan-2,5(3H,3aαH)-dione, (3aR)-4,4a,7aα,8,9,9aα-六氢-4α-(异戊酰氧基)-3β,4aβ,8α-三甲基甘蓝[6,5-b]呋喃-2,5(3H,3aαH)-二酮.
Category: Organic Chemicals.
Independent reference data for (3aR)-4,4a,7aα,8,9,9aα-Hexahydro-4α-(isovaleryloxy)-3β,4aβ,8α-trimethylazuleno[6,5-b]furan-2,5(3H,3aαH)-dione (CAS 34532-66-6), compiled from public chemistry databases.
| CAS 号 | 34532-66-6 |
|---|---|
| PubChem CID | 14656908 |
| 分子式 | C20H28O5 |
| IUPAC 名称 | [(1S,3aR,5R,5aR,8aR,9S,9aR)-1,5,8a-trimethyl-2,8-dioxo-3a,4,5,5a,9,9a-hexahydro-1H-azuleno[6,5-b]furan-9-yl] 3-methylbutanoate |
| UNII（FDA） | PTH3RMN3NS |
| Molecular Weight | 348.4 |
|---|---|
| XLogP3 | 2.4 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 4 |
| Exact Mass | 348.19367399 |
| Monoisotopic Mass | 348.19367399 |
| Topological Polar Surface Area | 69.7 |
| Heavy Atom Count | 25 |
Arnicolide B; PTH3RMN3NS; Flexuosin B, anhydrodihydro-; 11,13-Dihydrohelenalin isovalerate; 34532-66-6; Ambros-2-en-12-oic acid, 6alpha,8beta-dihydroxy-4-oxo-, 12,8-lactone, isovalerate, (11S)-; RefChem:28313; CHEMBL452752; 6-O-isovaleryldihydrohelenalin; UNII-PTH3RMN3NS; orb3141672; DTXSID701383583; BDBM50433467; TN11270; Isovaleryl-dihydrohelenalin (Arnicolide B); NS00093993
(3aR)-4,4a,7aα,8,9,9aα-六氢-4α-(异戊酰氧基)-3β,4aβ,8α-三甲基甘蓝[6,5-b]呋喃-2,5(3H,3aαH)-二酮 · CAS 34532-66-6 · C20H28O5. UNII PTH3RMN3NS.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: (3aR)-4,4a,7aα,8,9,9aα-六氢-4α-(异戊酰氧基)-3β,4aβ,8α-三甲基甘蓝[6,5-b]呋喃-2,5(3H,3aαH)-二酮