(3R,6R,8S,10R,13S,16S,17R)-8-tert-butyl-6,17-dihydroxy-16-methyl-2,4,14,19-tetraoxahexacyclo[8.7.2.01,11.03,7.07,11.013,17]nonadecane-5,15,18-trione

• ChemBase编号: 130709
• 分子式: C20H24O9
• 平均质量: 408.39916
• 单一同位素质量: 408.14203235
• SMILES: C[C@@H]1C(=O)O[C@@H]2[C@]1(C13C(=O)O[C@H]4C1(C2)C1([C@@H](C4)C(C)(C)C)[C@H](C(=O)O[C@H]1O3)O)O
• Canonical SMILES: O=C1O[C@@H]2[C@@]([C@@H]1C)(O)C13C4(C2)[C@H](OC3=O)C[C@H](C24[C@H](O1)OC(=O)[C@@H]2O)C(C)(C)C
• InChI: InChI=1S/C20H24O9/c1-7-12(22)26-10-6-17-9-5-8(16(2,3)4)18(17)11(21)13(23)28-15(18)29-20(17,14(24)27-9)19(7,10)25/h7-11,15,21,25H,5-6H2,1-4H3/t7-,8+,9-,10+,11+,15+,17?,18?,19-,20?/m1/s1
• InChIKey: FPUXKXIZEIDQKW-ZJZLDMJOSA-N

名称和登记号

名称

• IUPAC标准名: (3R,6R,8S,10R,13S,16S,17R)-8-tert-butyl-6,17-dihydroxy-16-methyl-2,4,14,19-tetraoxahexacyclo[8.7.2.0^1,^1^1.0^3,^7.0^7,^1^1.0^1^3,^1^7]nonadecane-5,15,18-trione
• IUPAC传统名: (3R,6R,8S,10R,13S,16S,17R)-8-tert-butyl-6,17-dihydroxy-16-methyl-2,4,14,19-tetraoxahexacyclo[8.7.2.0^1,^1^1.0^3,^7.0^7,^1^1.0^1^3,^1^7]nonadecane-5,15,18-trione
• 别名: 银杏内酯 A 来源于银杏 叶; 银杏内酯 A; Ginkgolide A from Ginkgo biloba leaves; Ginkgolide A

登记号

• CAS号: 15291-75-5
• MDL号: MFCD00133365
• PubChem SID: 24895144; 162224987; 24874033
• PubChem CID: 6419993

理论计算性质

• Acid pKa: 11.767949
• 质子受体: 6
• 质子供体: 2
• LogD (pH = 5.5): 0.33678335
• LogD (pH = 7.4): 0.336765
• Log P: 0.3367836
• 摩尔折射率: 90.1745 cm^3
• 极化性: 37.710293 Å^3
• 极化表面积: 128.59 Å^2
• 可自由旋转的化学键: 1
• 里宾斯基五规则: true

分子性质

安全信息

• 德国WGK号: 3
• 个人保护装置: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
• 保存温度: -20°C

产品相关信息

• 纯度: ≥90% (HPLC); ≥98.0% (HPLC)
• 级别: analytical standard; primary reference standard
• Empirical Formula (Hill Notation): C20H24O9

详细说明

Sigma Aldrich - 51863

Protocols & Applications
Ginkgo (Ginkgo biloba) Plant Profile: bioactives, mechanism of action, references

Sigma Aldrich - 00770590

Application
草药产品分析的标准品
General description
由 HWI Analytik 生产和检验 证书上注明了由定量 NMR 确定的准确含量

Sigma Aldrich - G4028

Biochem/physiol Actions
Constituent of Ginkgo biloba extracts. Antioxidant.
Protocols & Applications
Ginkgo (Ginkgo biloba) Plant Profile: bioactives, mechanism of action, references