3-Methylbutanoic acid (1S,7R)-6,7aα-dihydro-6β-hydroxy-4-[(3-methyl-1-oxobutoxy)methyl]spiro[cyclopenta[c]pyran-7(1H),2'-oxiran]-1α-yl ester (CAS 53773-14-1) — formula C20H28O7, molecular weight 380.4; category organic chemicals.
| CAS Number | 53773-14-1 |
|---|---|
| Molecular Formula | C20H28O7 |
| Molecular Weight | 380.4 |
| LogP | 1.2 |
| Category | Organic Chemicals |
3-Methylbutanoic acid (1S,7R)-6,7aα-dihydro-6β-hydroxy-4-[(3-methyl-1-oxobutoxy)methyl]spiro[cyclopenta[c]pyran-7(1H),2'-oxiran]-1α-yl ester is a carbon-based organic compound with CAS registry number 53773-14-1 and molecular formula C20H28O7 (molecular weight 380.4), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 53773-14-1
Its molecular formula C20H28O7 comprises 20 C, 28 H, 7 O atoms.
Also known as: 3-Methylbutanoic acid (1S,7R)-6,7aα-dihydro-6β-hydroxy-4-[(3-methyl-1-oxobutoxy)methyl]spiro[cyclopenta[c]pyran-7(1H),2'-oxiran]-1α-yl ester · 3-甲基丁酸(1S,7R)-6,7aα-二氢-6β-羟基-4-[(3-甲基-1-氧代丁氧基)甲基]螺[环戊[c]吡喃-7(1H),2'-环氧乙烷]-1α-基酯
Category: organic chemicals
The CAS registry number of 3-Methylbutanoic acid (1S,7R)-6,7aα-dihydro-6β-hydroxy-4-[(3-methyl-1-oxobutoxy)methyl]spiro[cyclopenta[c]pyran-7(1H),2'-oxiran]-1α-yl ester is 53773-14-1.
Molecular formula C20H28O7, molecular weight 380.4.
It is also registered under: 3-Methylbutanoic acid (1S,7R)-6,7aα-dihydro-6β-hydroxy-4-[(3-methyl-1-oxobutoxy)methyl]spiro[cyclopenta[c]pyran-7(1H),2'-oxiran]-1α-yl ester, 3-甲基丁酸(1S,7R)-6,7aα-二氢-6β-羟基-4-[(3-甲基-1-氧代丁氧基)甲基]螺[环戊[c]吡喃-7(1H),2'-环氧乙烷]-1α-基酯.
Category: Organic Chemicals.
Independent reference data for 3-Methylbutanoic acid (1S,7R)-6,7aα-dihydro-6β-hydroxy-4-[(3-methyl-1-oxobutoxy)methyl]spiro[cyclopenta[c]pyran-7(1H),2'-oxiran]-1α-yl ester (CAS 53773-14-1), compiled from public chemistry databases.
| CAS 号 | 53773-14-1 |
|---|---|
| PubChem CID | 101981514 |
| 分子式 | C20H28O7 |
| IUPAC 名称 | [(1S,6R,7R,7aS)-6-hydroxy-1-(3-methylbutanoyloxy)spiro[6,7a-dihydro-1H-cyclopenta[c]pyran-7,2'-oxirane]-4-yl]methyl 3-methylbutanoate |
| Molecular Weight | 380.4 |
|---|---|
| XLogP3 | 1.2 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 9 |
| Exact Mass | 380.18350323 |
| Monoisotopic Mass | 380.18350323 |
| Topological Polar Surface Area | 94.6 |
| Heavy Atom Count | 27 |
3-甲基丁酸(1S,7R)-6,7aα-二氢-6β-羟基-4-[(3-甲基-1-氧代丁氧基)甲基]螺[环戊[c]吡喃-7(1H),2'-环氧乙烷]-1α-基酯 · CAS 53773-14-1 · C20H28O7.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 3-甲基丁酸(1S,7R)-6,7aα-二氢-6β-羟基-4-[(3-甲基-1-氧代丁氧基)甲基]螺[环戊[c]吡喃-7(1H),2'-环氧乙烷]-1α-基酯