Butanoic acid, 3-methyl-, (1S,3S,5Z,7R,8E,11S,12S,13E,15S,17R,21R,23R,25S)-12-(acetyloxy)-1,11,21-trihydroxy-17-(1R)-1-hydroxyethyl-5,13-bis(2-methoxy-2-oxoethylidene)-10,10,26,26-tetramethyl-19-oxo-18,27,28,29-tetraoxatetracyclo21.3.1.13,7.111,15nonacos- (CAS 97850-04-9) — formula C44H66O17, molecular weight 867.0; category organic chemicals.
| CAS Number | 97850-04-9 |
|---|---|
| Molecular Formula | C44H66O17 |
| Molecular Weight | 867.0 |
| LogP | 2.8 |
| Category | Organic Chemicals |
Butanoic acid, 3-methyl-, (1S,3S,5Z,7R,8E,11S,12S,13E,15S,17R,21R,23R,25S)-12-(acetyloxy)-1,11,21-trihydroxy-17-(1R)-1-hydroxyethyl-5,13-bis(2-methoxy-2-oxoethylidene)-10,10,26,26-tetramethyl-19-oxo-18,27,28,29-tetraoxatetracyclo21.3.1.13,7.111,15nonacos- is a carbon-based organic compound with CAS registry number 97850-04-9 and molecular formula C44H66O17 (molecular weight 867.0), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 97850-04-9
Its molecular formula C44H66O17 comprises 44 C, 66 H, 17 O atoms.
Also known as: Butanoic acid, 3-methyl-, (1S,3S,5Z,7R,8E,11S,12S,13E,15S,17R,21R,23R,25S)-12-(acetyloxy)-1,11,21-trihydroxy-17-(1R)-1-hydroxyethyl-5,13-bis(2-methoxy-2-oxoethylidene)-10,10,26,26-tetramethyl-19-oxo-18,27,28,29-tetraoxatetracyclo21.3.1.13,7.111,15nonacos- · 3-甲基丁酸， (1S,3S,5Z,7R,8E,11S,12S,13E,15S,17R,21R,23R,25S)-12-(乙酰氧基)-1,11,21-三羟基-17-(1R)-1-羟乙基-5,13-双(2-甲氧基-2-氧代亚乙基)-10,10,26,26-四甲基-19-氧代-18,27,28,29-四氧四环21.3.1.13,7.111,15nonacos-
Category: organic chemicals
The CAS registry number of Butanoic acid, 3-methyl-, (1S,3S,5Z,7R,8E,11S,12S,13E,15S,17R,21R,23R,25S)-12-(acetyloxy)-1,11,21-trihydroxy-17-(1R)-1-hydroxyethyl-5,13-bis(2-methoxy-2-oxoethylidene)-10,10,26,26-tetramethyl-19-oxo-18,27,28,29-tetraoxatetracyclo21.3.1.13,7.111,15nonacos- is 97850-04-9.
Molecular formula C44H66O17, molecular weight 867.0.
It is also registered under: Butanoic acid, 3-methyl-, (1S,3S,5Z,7R,8E,11S,12S,13E,15S,17R,21R,23R,25S)-12-(acetyloxy)-1,11,21-trihydroxy-17-(1R)-1-hydroxyethyl-5,13-bis(2-methoxy-2-oxoethylidene)-10,10,26,26-tetramethyl-19-oxo-18,27,28,29-tetraoxatetracyclo21.3.1.13,7.111,15nonacos-, 3-甲基丁酸， (1S,3S,5Z,7R,8E,11S,12S,13E,15S,17R,21R,23R,25S)-12-(乙酰氧基)-1,11,21-三羟基-17-(1R)-1-羟乙基-5,13-双(2-甲氧基-2-氧代亚乙基)-10,10,26,26-四甲基-19-氧代-18,27,28,29-四氧四环21.3.1.13,7.111,15nonacos-.
Category: Organic Chemicals.
Independent reference data for Butanoic acid, 3-methyl-, (1S,3S,5Z,7R,8E,11S,12S,13E,15S,17R,21R,23R,25S)-12-(acetyloxy)-1,11,21-trihydroxy-17-(1R)-1-hydroxyethyl-5,13-bis(2-methoxy-2-oxoethylidene)-10,10,26,26-tetramethyl-19-oxo-18,27,28,29-tetraoxatetracyclo21.3.1.13,7.111,15nonacos- (CAS 97850-04-9), compiled from public chemistry databases.
| CAS 号 | 97850-04-9 |
|---|---|
| PubChem CID | 6440924 |
| 分子式 | C44H66O17 |
| IUPAC 名称 | [(5Z,8E,13Z)-12-acetyloxy-1,11,21-trihydroxy-17-(1-hydroxyethyl)-5,13-bis(2-methoxy-2-oxoethylidene)-10,10,26,26-tetramethyl-19-oxo-18,27,28,29-tetraoxatetracyclo[21.3.1.13,7.111,15]nonacos-8-en-25-yl] 3-methylbutanoate |
| Molecular Weight | 867.0 |
|---|---|
| XLogP3 | 2.8 |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 17 |
| Rotatable Bond Count | 11 |
| Exact Mass | 866.43000063 |
| Monoisotopic Mass | 866.43000063 |
| Topological Polar Surface Area | 240 |
| Heavy Atom Count | 61 |
3-甲基丁酸， (1S,3S,5Z,7R,8E,11S,12S,13E,15S,17R,21R,23R,25S)-12-(乙酰氧基)-1,11,21-三羟基-17-(1R)-1-羟乙基-5,13-双(2-甲氧基-2-氧代亚乙基)-10,10,26,26-四甲基-19-氧代-18,27,28,29-四氧四环21.3.1.13,7.111,15nonacos- · CAS 97850-04-9 · C44H66O17.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.