Artenimolum , CAS No.81496-81-3

CAS: 81496-81-3 Cat. No.: A671083 分子式: C15H24O5 分子量: 284.35 EC番号: 615-698-8,617-239-7
注文可能
Synonyms
Artenimol|(1S,4S,5R,8S,9R,10S,12R,13R)-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.0^{4,13}.0^{8,13}]hexadecan-10-ol|Alaxin|Dynamax|Dihydroartemisinin|Cotexin|Dihydroartemisinin, .beta.-|Di-hydroqinghaosu|Santecxin|alpha-Dihydroartemisinin|Cotecxin|beta.-dihydroartemisinin|Dihydroqinghaosu|Salaxin|Artenimolum|Dihydroartemisinine|(1S,4S,5R,8S,9R,10S,12R,13R)-1,5,9-Trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecan-10-ol
Storage
Room temperature
★
サイズ
USA
ドイツ (EU)*
価格
個数
1mg
A671083-1mg
受注生産 · 8~12週間
$999.90
Enter a quantity for the sizes you want to add.

仕様

同義語
Artenimol | (1S,4S,5R,8S,9R,10S,12R,13R)-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.0^{4,13}.0^{8,13}]hexadecan-10-ol | Alaxin | Dynamax | Dihydroartemisinin | Cotexin | Dihydroartemisinin, .beta.- | Di-hydroqinghaosu | Santecxin | alpha-Dihydroartemisinin | Cotecxin | beta.-dihydroartemisinin | Dihydroqinghaosu | Salaxin | Art もっと見る
保管条件
Room temperature
アクションタイプ
INHIBITOR
製品の性質
ALogP
2.5
名前と識別子
カノニカル・スマイル
CC1CCC2C(C(OC3C24C1CCC(O3)(OO4)C)O)C
IUPAC Name
(1R,4S,5R,8S,9R,10R,12R,13R)-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecan-10-ol
InChIKey
BJDCWCLMFKKGEE-KDTBHNEXSA-N
INCHI
1S/C15H24O5/c1-8-4-5-11-9(2)12(16)17-13-15(11)10(8)6-7-14(3,18-13)19-20-15/h8-13,16H,4-7H2,1-3H3/t8-,9-,10+,11+,12-,13-,14-,15-/m1/s1
異性体SMILES
C[C@@H]1CC[C@H]2[C@H]([C@@H](O[C@H]3[C@@]24[C@H]1CC[C@](O3)(OO4)C)O)C
代替CAS番号
71939-50-9,81496-81-3
MeSH用語
(3R,5aS,6R,8aS,9R,10S,12R,12aR)-decahydro-3,6,9-trimethyl-3,12-epoxy-12H-pyrano(4,3-j)-1,2-benzodioxepin-10-ol;3alpha-hydroxydeoxydihydroartemisinin;8alpha-hydroxydeoxyartemisinin;9alpha-hydroxydeoxyartemisinin;Alaxin;artemisinin, dihydro-;artenimol;Cotec
分子量
284.35
Reaxy-Rn
25123268
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=25123268&ln=

詳細データ

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassLipids and lipid-like molecules
分類Prenol lipids
SubclassSesquiterpenoids
Intermediate Tree Nodes Not available
Direct ParentArtemisinins
Alternative Parents Oxepanes  Trioxanes  Oxanes  Hemiacetals  Dialkyl peroxides  Oxacyclic compounds  Acetals  Hydrocarbon derivatives  
Molecular FrameworkAliphatic heteropolycyclic compounds
Substituents Artemisinin skeleton - Oxepane - 1,2,4-trioxane - Oxane - Dialkyl peroxide - Hemiacetal - Oxacycle - Organoheterocyclic compound - Acetal - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aliphatic heteropolycyclic compound
説明This compound belongs to the class of organic compounds known as artemisinins. These are sesquiterpenoids originally isolated from the herb Artemisia annua. Their structure is based on artemisinin, a tetracyclic compound that contains a 1,2-dioxepane fused to an octahydrobenzopyran moiety. The internal peroxide bridge is believed to be a key to the mode of action of artemisinins.
External Descriptors Not available
3 D構造
インタラクティブ化学構造モデル





関連ターゲット(人間)
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作用メカニズム
証明書(CoA、COO、BSE/TSEと分析図)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
化学的性質と物理的性質
分子量284.350 g/mol
XLogP32.500
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count0
Exact Mass284.162 Da
Monoisotopic Mass284.162 Da
Topological Polar Surface Area57.200 Ų
Heavy Atom Count20
Formal Charge0
Complexity415.000
Isotope Atom Count0
Defined Atom Stereocenter Count8
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
ソリューション計算機
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