[(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate (CAS 70110-50-8) — formula C49H76O2, molecular weight 697.1; category organic chemicals.
| CAS Number | 70110-50-8 |
|---|---|
| Molecular Formula | C49H76O2 |
| Molecular Weight | 697.1 |
| LogP | 15.5 |
| Category | Organic Chemicals |
[(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate is a carbon-based organic compound with CAS registry number 70110-50-8 and molecular formula C49H76O2 (molecular weight 697.1), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 70110-50-8
Its molecular formula C49H76O2 comprises 49 C, 76 H, 2 O atoms.
Also known as: [(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate · [(3S,8S,9S,10R,13R,14S,17R)-10,13-二甲基-17-[(2R)-6-甲基庚-2-基]-2,3,4,7,8,9,11,12,14,15,16,17-十二氢-1H-环戊[a]菲-3-基] (4Z,7Z,10Z,13Z,16Z,19Z)-二十二碳六烯酸-4,7,10,13,16,19-己烯酸酯
Category: organic chemicals
The CAS registry number of [(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate is 70110-50-8.
Molecular formula C49H76O2, molecular weight 697.1.
It is also registered under: [(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate, [(3S,8S,9S,10R,13R,14S,17R)-10,13-二甲基-17-[(2R)-6-甲基庚-2-基]-2,3,4,7,8,9,11,12,14,15,16,17-十二氢-1H-环戊[a]菲-3-基] (4Z,7Z,10Z,13Z,16Z,19Z)-二十二碳六烯酸-4,7,10,13,16,19-己烯酸酯.
Category: Organic Chemicals.
Independent reference data for [(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate (CAS 70110-50-8), compiled from public chemistry databases.
| CAS 号 | 70110-50-8 |
|---|---|
| PubChem CID | 14274978 |
| 分子式 | C49H76O2 |
| IUPAC 名称 | [(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate |
| Molecular Weight | 697.1 |
|---|---|
| XLogP3 | 15.5 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 21 |
| Exact Mass | 696.58453166 |
| Monoisotopic Mass | 696.58453166 |
| Topological Polar Surface Area | 26.3 |
| Heavy Atom Count | 51 |
DTXSID001314890; 70110-50-8; RefChem:125700; DTXCID001744813; Cholesteryl cervonate; 22:6 Cholesteryl ester; CE(22:6); CE 22:6; Cholesteryl docosahexaenoate; CE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)); cholesteryl (4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoate; cholest-5-en-3beta-yl (4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoate); 22:6 Cholesterol ester; SCHEMBL29361940; CHEBI:74102; LMST01020019
[(3S,8S,9S,10R,13R,14S,17R)-10,13-二甲基-17-[(2R)-6-甲基庚-2-基]-2,3,4,7,8,9,11,12,14,15,16,17-十二氢-1H-环戊[a]菲-3-基] (4Z,7Z,10Z,13Z,16Z,19Z)-二十二碳六烯酸-4,7,10,13,16,19-己烯酸酯 · CAS 70110-50-8 · C49H76O2.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.