12β-(Benzoyloxy)-22,23,24,25-tetradehydrosimplexin 20-hexadecanoate (CAS 60195-68-8) — formula C53H74O11, molecular weight 887.1; category organic chemicals.
| CAS Number | 60195-68-8 |
|---|---|
| Molecular Formula | C53H74O11 |
| Molecular Weight | 887.1 |
| LogP | 12.2 |
| Category | Organic Chemicals |
12β-(Benzoyloxy)-22,23,24,25-tetradehydrosimplexin 20-hexadecanoate is a carbon-based organic compound with CAS registry number 60195-68-8 and molecular formula C53H74O11 (molecular weight 887.1), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 60195-68-8
Its molecular formula C53H74O11 comprises 53 C, 74 H, 11 O atoms.
Also known as: 12β-(Benzoyloxy)-22,23,24,25-tetradehydrosimplexin 20-hexadecanoate · 12β-(苯甲酰氧基)-22,23,24,25-四氢单聚体20-十六酸酯
Category: organic chemicals
The CAS registry number of 12β-(Benzoyloxy)-22,23,24,25-tetradehydrosimplexin 20-hexadecanoate is 60195-68-8.
Molecular formula C53H74O11, molecular weight 887.1.
It is also registered under: 12β-(Benzoyloxy)-22,23,24,25-tetradehydrosimplexin 20-hexadecanoate, 12β-(苯甲酰氧基)-22,23,24,25-四氢单聚体20-十六酸酯.
Category: Organic Chemicals.
Independent reference data for 12β-(Benzoyloxy)-22,23,24,25-tetradehydrosimplexin 20-hexadecanoate (CAS 60195-68-8), compiled from public chemistry databases.
| CAS 号 | 60195-68-8 |
|---|---|
| PubChem CID | 5358536 |
| 分子式 | C53H74O11 |
| IUPAC 名称 | [(1R,6S,7S,8R,10S,11S,12R,14S,16S,17R,18R)-8-(hexadecanoyloxymethyl)-6,7-dihydroxy-4,18-dimethyl-14-[(1E,3E)-nona-1,3-dienyl]-5-oxo-16-prop-1-en-2-yl-9,13,15,19-tetraoxahexacyclo[12.4.1.01,11.02,6.08,10.012,16]nonadec-3-en-17-yl] benzoate |
| Molecular Weight | 887.1 |
|---|---|
| XLogP3 | 12.2 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 11 |
| Rotatable Bond Count | 27 |
| Exact Mass | 886.52311317 |
| Monoisotopic Mass | 886.52311317 |
| Topological Polar Surface Area | 150 |
| Heavy Atom Count | 64 |
Gnidilatidin 20-palmitate; 60195-68-8; DTXSID00418409; NSC261426; GNIDIA B644130K213 ORIGIN; NSC-261426
12β-(苯甲酰氧基)-22,23,24,25-四氢单聚体20-十六酸酯 · CAS 60195-68-8 · C53H74O11.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.