2-Butenoic acid, 2-methyl-, 6-(acetyloxy)-2,3,3a,4,5,6,6a,7,8,9b-decah ydro-3,3a-dihydroxy-3,6,9-trimethyl-4-(2-methyl-1-oxobutoxy)-7-(3-meth yl-1-oxobutoxy)-2-oxoazuleno(4,5-b)furan-8-yl ester (CAS 81127-21-1) — formula C32H46O12, molecular weight 622.7; category organic chemicals.
| CAS Number | 81127-21-1 |
|---|---|
| Molecular Formula | C32H46O12 |
| Molecular Weight | 622.7 |
| LogP | 2.4 |
| Category | Organic Chemicals |
2-Butenoic acid, 2-methyl-, 6-(acetyloxy)-2,3,3a,4,5,6,6a,7,8,9b-decah ydro-3,3a-dihydroxy-3,6,9-trimethyl-4-(2-methyl-1-oxobutoxy)-7-(3-meth yl-1-oxobutoxy)-2-oxoazuleno(4,5-b)furan-8-yl ester is a carbon-based organic compound with CAS registry number 81127-21-1 and molecular formula C32H46O12 (molecular weight 622.7), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 81127-21-1
Its molecular formula C32H46O12 comprises 32 C, 46 H, 12 O atoms.
Also known as: 2-Butenoic acid, 2-methyl-, 6-(acetyloxy)-2,3,3a,4,5,6,6a,7,8,9b-decah ydro-3,3a-dihydroxy-3,6,9-trimethyl-4-(2-methyl-1-oxobutoxy)-7-(3-meth yl-1-oxobutoxy)-2-oxoazuleno(4,5-b)furan-8-yl ester · 2-丁烯酸，2-甲基-,6-(乙酰氧基)-2,3,3a,4,5,6,6a,7,8,9b-十氢-3,3a-二羟基-3,6,9-三甲基-4-(2-甲基-1-氧代丁氧基)-7-(3-甲基)基-1-氧代丁氧基)-2-氧代薁(4,5-b)呋喃-8-基酯
Category: organic chemicals
The CAS registry number of 2-Butenoic acid, 2-methyl-, 6-(acetyloxy)-2,3,3a,4,5,6,6a,7,8,9b-decah ydro-3,3a-dihydroxy-3,6,9-trimethyl-4-(2-methyl-1-oxobutoxy)-7-(3-meth yl-1-oxobutoxy)-2-oxoazuleno(4,5-b)furan-8-yl ester is 81127-21-1.
Molecular formula C32H46O12, molecular weight 622.7.
It is also registered under: 2-Butenoic acid, 2-methyl-, 6-(acetyloxy)-2,3,3a,4,5,6,6a,7,8,9b-decah ydro-3,3a-dihydroxy-3,6,9-trimethyl-4-(2-methyl-1-oxobutoxy)-7-(3-meth yl-1-oxobutoxy)-2-oxoazuleno(4,5-b)furan-8-yl ester, 2-丁烯酸，2-甲基-,6-(乙酰氧基)-2,3,3a,4,5,6,6a,7,8,9b-十氢-3,3a-二羟基-3,6,9-三甲基-4-(2-甲基-1-氧代丁氧基)-7-(3-甲基)基-1-氧代丁氧基)-2-氧代薁(4,5-b)呋喃-8-基酯.
Category: Organic Chemicals.
Independent reference data for 2-Butenoic acid, 2-methyl-, 6-(acetyloxy)-2,3,3a,4,5,6,6a,7,8,9b-decah ydro-3,3a-dihydroxy-3,6,9-trimethyl-4-(2-methyl-1-oxobutoxy)-7-(3-meth yl-1-oxobutoxy)-2-oxoazuleno(4,5-b)furan-8-yl ester (CAS 81127-21-1), compiled from public chemistry databases.
| CAS 号 | 81127-21-1 |
|---|---|
| PubChem CID | 6440664 |
| 分子式 | C32H46O12 |
| IUPAC 名称 | [6-acetyloxy-3,3a-dihydroxy-3,6,9-trimethyl-7-(3-methylbutanoyloxy)-8-[(E)-2-methylbut-2-enoyl]oxy-2-oxo-4,5,6a,7,8,9b-hexahydroazuleno[4,5-b]furan-4-yl] 2-methylbutanoate |
| Molecular Weight | 622.7 |
|---|---|
| XLogP3 | 2.4 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 12 |
| Rotatable Bond Count | 13 |
| Exact Mass | 622.29892690 |
| Monoisotopic Mass | 622.29892690 |
| Topological Polar Surface Area | 172 |
| Heavy Atom Count | 44 |
2-丁烯酸，2-甲基-,6-(乙酰氧基)-2,3,3a,4,5,6,6a,7,8,9b-十氢-3,3a-二羟基-3,6,9-三甲基-4-(2-甲基-1-氧代丁氧基)-7-(3-甲基)基-1-氧代丁氧基)-2-氧代薁(4,5-b)呋喃-8-基酯 · CAS 81127-21-1 · C32H46O12.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.