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Cervicarcin , CAS No.18700-78-2
注文可能
Storage
Room temperature
Shipped In
Normal
このグレードを選ぶ理由
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 Normal 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
保管条件
Room temperature
入荷
Normal
名前と識別子
カノニカル・スマイル
CC1C(C23C(=O)C4=C(C(C2(O3)C(C1(C(=O)C5C(O5)C)O)O)O)C(=CC=C4)O)O
IUPAC Name
7,9,11,12,14-pentahydroxy-13-methyl-12-(3-methyloxirane-2-carbonyl)-15-oxatetracyclo[8.4.1.01,10.03,8]pentadeca-3(8),4,6-trien-2-one
InChIKey
ZGZVMKCZHDIFQA-UHFFFAOYSA-N
INCHI
1S/C19H20O9/c1-6-12(21)18-13(22)8-4-3-5-9(20)10(8)14(23)19(18,28-18)16(25)17(6,26)15(24)11-7(2)27-11/h3-7,11-12,14,16,20-21,23,25-26H,1-2H3
異性体SMILES
CC1C(C23C(=O)C4=C(C(C2(O3)C(C1(C(=O)C5C(O5)C)O)O)O)C(=CC=C4)O)O
PubChem CID
29219
分子量
392.36
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 Benzenoids
- 分類 Tetralins
- Superclass Benzenoids
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| 分類 | Tetralins |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Tetralins |
| Alternative Parents | Aryl alkyl ketones Oxepanes 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Cyclitols and derivatives Tertiary alcohols Alpha-hydroxy ketones Secondary alcohols Polyols Oxacyclic compounds Epoxides Dialkyl ethers Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Tetralin - Aryl alkyl ketone - Aryl ketone - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Oxepane - Cyclitol or derivatives - Alpha-hydroxy ketone - Cyclic alcohol - Tertiary alcohol - Ketone - Secondary alcohol - Dialkyl ether - Oxirane - Ether - Oxacycle - Organoheterocyclic compound - Polyol - Alcohol - Organic oxygen compound - Organic oxide - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Aromatic heteropolycyclic compound |
| 説明 | This compound belongs to the class of organic compounds known as tetralins. These are polycyclic aromatic compounds containing a tetralin moiety, which consists of a benzene fused to a cyclohexane. |
| 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 | 392.400 g/mol |
|---|---|
| XLogP3 | -1.400 |
| Hydrogen Bond Donor Count | 5 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 2 |
| Exact Mass | 392.111 Da |
| Monoisotopic Mass | 392.111 Da |
| Topological Polar Surface Area | 160.000 Ų |
| Heavy Atom Count | 28 |
| Formal Charge | 0 |
| Complexity | 756.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 9 |
| 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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