Determine the necessary mass, volume, or concentration for preparing a solution.
Andrographidine C - ≥95% , CAS No.113963-39-6
注文可能
グレード＆純度 ≥95%
Storage
Room temperature
このグレードを選ぶ理由
≥95% ベースライン干渉を最小限に抑える必要がある、感度の高いクロマトグラフィーおよび分析ワークフロー向け。
保管・配送
Room temperature に出荷。正確な仕様については、ロット固有の COA をご確認ください。
品質書類
SDS、COA、データシート、仕様書をダウンロードできます。ロット固有の COA はロット番号検索で入手可能です。
文献的裏付け
クロマトグラフィー、有機合成、クロスカップリング反応に関する 0 件の査読済み論文で引用されています。
仕様
仕様と純度
≥95%
保管条件
Room temperature
純度
≥95%
名前と識別子
カノニカル・スマイル
COC1=C(C2=C(C(=C1)OC3C(C(C(C(O3)CO)O)O)O)C(=O)C=C(O2)C4=CC=CC=C4)OC
IUPAC Name
7,8-dimethoxy-2-phenyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
InChIKey
WGCQDTNINMCFAY-PUIBNRJISA-N
INCHI
1S/C23H24O10/c1-29-15-9-14(32-23-20(28)19(27)18(26)16(10-24)33-23)17-12(25)8-13(11-6-4-3-5-7-11)31-22(17)21(15)30-2/h3-9,16,18-20,23-24,26-28H,10H2,1-2H3/t16-,18-,19+,20-,23-/m1/s1
異性体SMILES
COC1=C(C2=C(C(=C1)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)C(=O)C=C(O2)C4=CC=CC=C4)OC
PubChem CID
5318484
ドキュメント
📋 安全データシート（SDS）
危険性、取扱い、保管、および規制遵守を網羅した包括的な文書。
<<<<<<< HEAD SDS をダウンロード → ======= SDS をダウンロード → >>>>>>> release248-p3詳細データ
Taxonomic Classification
Taxonomy Tree
- Kingdom Organic compounds
- Superclass Phenylpropanoids and polyketides
- 分類 Flavonoids
- Subclass Flavonoid glycosides
- 分類 Flavonoids
- Superclass Phenylpropanoids and polyketides
| Kingdom | Organic compounds |
|---|---|
| Superclass | Phenylpropanoids and polyketides |
| 分類 | Flavonoids |
| Subclass | Flavonoid glycosides |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Flavonoid O-glycosides |
| Alternative Parents | 7-O-methylated flavonoids 8-O-methylated flavonoids Flavones Phenolic glycosides Hexoses Chromones O-glycosyl compounds Anisoles Pyranones and derivatives Alkyl aryl ethers Benzene and substituted derivatives Oxanes Heteroaromatic compounds Vinylogous esters Secondary alcohols Oxacyclic compounds Polyols Acetals Primary alcohols Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Flavonoid-5-o-glycoside - Flavonoid o-glycoside - 7-methoxyflavonoid-skeleton - 8-methoxyflavonoid-skeleton - Flavone - Phenolic glycoside - Hexose monosaccharide - Chromone - Glycosyl compound - O-glycosyl compound - Benzopyran - 1-benzopyran - Anisole - Pyranone - Alkyl aryl ether - Pyran - Monocyclic benzene moiety - Benzenoid - Monosaccharide - Oxane - Vinylogous ester - Heteroaromatic compound - Secondary alcohol - Organoheterocyclic compound - Oxacycle - Ether - Polyol - Acetal - Hydrocarbon derivative - Organic oxygen compound - Alcohol - Organic oxide - Organooxygen compound - Primary alcohol - Aromatic heteropolycyclic compound |
| 説明 | This compound belongs to the class of organic compounds known as flavonoid o-glycosides. These are compounds containing a carbohydrate moiety which is O-glycosidically linked to the 2-phenylchromen-4-one flavonoid backbone. |
| External Descriptors | Not available |
3 D構造
インタラクティブ化学構造モデル
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 | 460.400 g/mol |
|---|---|
| XLogP3 | 1.000 |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 10 |
| Rotatable Bond Count | 6 |
| Exact Mass | 460.137 Da |
| Monoisotopic Mass | 460.137 Da |
| Topological Polar Surface Area | 144.000 Ų |
| Heavy Atom Count | 33 |
| Formal Charge | 0 |
| Complexity | 707.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 5 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
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