(1R,2R,5S,8R,9S,10R,11S,12S)-12-hydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadecane-9-carboxylic acid

• ChemBase编号: 133194
• 分子式: C19H24O5
• 平均质量: 332.39086
• 单一同位素质量: 332.16237387
• SMILES: C[C@@]12[C@H](CC[C@@]3([C@@H]1[C@@H]([C@]14[C@H]3CC[C@H](C1)C(=C)C4)C(=O)O)OC2=O)O
• Canonical SMILES: C=C1C[C@@]23C[C@H]1CC[C@H]3[C@@]13[C@H]([C@@H]2C(=O)O)[C@@](C)([C@H](CC1)O)C(=O)O3
• InChI: InChI=1S/C19H24O5/c1-9-7-18-8-10(9)3-4-11(18)19-6-5-12(20)17(2,16(23)24-19)14(19)13(18)15(21)22/h10-14,20H,1,3-8H2,2H3,(H,21,22)/t10-,11+,12-,13+,14+,17+,18-,19+/m0/s1
• InChIKey: RSQSQJNRHICNNH-OZGZIUBOSA-N

名称和登记号

名称

• IUPAC标准名: (1R,2R,5S,8R,9S,10R,11S,12S)-12-hydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.1^5,^8.0^1,^1^0.0^2,^8]heptadecane-9-carboxylic acid
• IUPAC传统名: (1R,2R,5S,8R,9S,10R,11S,12S)-12-hydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.1^5,^8.0^1,^1^0.0^2,^8]heptadecane-9-carboxylic acid
• 别名: Gibberellin A4

登记号

• CAS号: 468-44-0
• EC号: 207-406-9
• MDL号: MFCD00133363
• PubChem SID: 162227471; 24895150
• PubChem CID: 3034393

理论计算性质

• Acid pKa: 4.288334
• 质子受体: 4
• 质子供体: 2
• LogD (pH = 5.5): 0.32484943
• LogD (pH = 7.4): -1.4111365
• Log P: 1.5603198
• 摩尔折射率: 84.0788 cm^3
• 极化性: 33.795246 Å^3
• 极化表面积: 83.83 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%
• 适用性: plant cell culture tested
• 杂质: ≤5% gibberellin A7

详细说明

Sigma Aldrich - G7276

Application
Gibberillic acids (GA) are important plant growth hormones that promote plant cell growth and elongation. Gebberillins promote rapid stem and root growth, induce mitotic division and initiate (break dormancy) and increase seed germination rates. The gibberellins are also involved in processes such as gravitropism, tensioning and floral display.Gibberellin A3 (G1025, G7645) and A4 (G7276) may be used as supplements to plant growth media such as Murashige and Skoog media. The specific actions of A3 and A4 or combinations of Gebberellins should be determined in specific plant applications.
Other Notes
Tandem Mass Spectrometry data independently generated by Scripps Center for Metabolomics is available to view or download in PDF. G7276.pdf Tested metabolites are featured on Scripps Center for Metabolomics METLIN Metabolite Database. To learn more, visit sigma.com/metlin.