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106-93-4 分子结构
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(1R,2R,5S,8S,9S,10R,11S,12S)-5,12-dihydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadec-13-ene-9-carboxylic acid

ChemBase编号:152750
分子式:C19H22O6
平均质量:346.37438
单一同位素质量:346.14163842
SMILES和InChIs

SMILES:
C[C@@]12[C@H](C=C[C@@]3([C@H]1[C@@H]([C@]14[C@H]3CC[C@](C1)(C(=C)C4)O)C(=O)O)OC2=O)O
Canonical SMILES:
OC(=O)[C@H]1[C@@H]2[C@]3([C@H]4[C@]51CC(=C)[C@](C5)(O)CC4)C=C[C@@H]([C@@]2(C)C(=O)O3)O
InChI:
InChI=1S/C19H22O6/c1-9-7-17-8-18(9,24)5-3-10(17)19-6-4-11(20)16(2,15(23)25-19)13(19)12(17)14(21)22/h4,6,10-13,20,24H,1,3,5,7-8H2,2H3,(H,21,22)/t10-,11+,12-,13-,16-,17+,18+,19-/m1/s1
InChIKey:
IXORZMNAPKEEDV-OBDJNFEBSA-N

引用这个纪录

CBID:152750 http://www.chembase.cn/molecule-152750.html

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名称和登记号

名称和登记号

名称 登记号
IUPAC标准名
(1R,2R,5S,8S,9S,10R,11S,12S)-5,12-dihydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadec-13-ene-9-carboxylic acid
IUPAC传统名
gibberellinsaeure
别名
二溴化乙烯
1,2-二溴乙烷 溶液
赤霉素 A3
赤霉酸
Gibberellic acid
Gibberellin
U - 1,2-Dibromoethane solution
GA3
Gibberellin A3
Gibberellic acid
CAS号
106-93-4
77-06-5
EC号
201-001-0
MDL号
MFCD00079329
Beilstein号
54346
PubChem SID
24872417
162246893
24862569
24872426
24882703
24899234
PubChem CID
6466

数据来源

数据来源

所有数据来源 商品来源 非商品来源
数据来源 数据ID
PubChem 6466 external link

理论计算性质

理论计算性质

JChem
Acid pKa 4.163467  质子受体
质子供体 LogD (pH = 5.5) -1.0024102 
LogD (pH = 7.4) -2.7070677  Log P 0.3509133 
摩尔折射率 86.4155 cm3 极化性 34.211063 Å3
极化表面积 104.06 Å2 可自由旋转的化学键
里宾斯基五规则 true 

分子性质

分子性质

理化性质 安全信息 产品相关信息 生物活性(PubChem)
比旋光度
[α]20/D +78±5°, c = 2% in methanol expand 查看数据来源
[α]20/D +80±3°, c = 1% in methanol expand 查看数据来源
[α]20/D +83±3°, c = 2.1% in ethanol expand 查看数据来源
RTECS编号
LY8990000 expand 查看数据来源
欧盟危险性物质标志
刺激性(Irritant) 刺激性(Irritant) (Xi) expand 查看数据来源
MSDS下载
下载链接 expand 查看数据来源
下载链接 expand 查看数据来源
下载链接 expand 查看数据来源
下载链接 expand 查看数据来源
下载链接 expand 查看数据来源
下载链接 expand 查看数据来源
德国WGK号
2 expand 查看数据来源
3 expand 查看数据来源
危险公开号
36 expand 查看数据来源
安全公开号
26-36 expand 查看数据来源
GHS危险品标识
GHS07 expand 查看数据来源
GHS警示词
Warning expand 查看数据来源
GHS危险声明
H319 expand 查看数据来源
GHS警示性声明
P305 + P351 + P338 expand 查看数据来源
个人保护装置
dust mask type N95 (US), Eyeshields, Gloves expand 查看数据来源
Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter expand 查看数据来源
纯度
≥95% (HPLC) expand 查看数据来源
80% gibberellin A3 basis (TLC) expand 查看数据来源
90% gibberellin A3 basis (HPLC) expand 查看数据来源
级别
analytical standard expand 查看数据来源
PESTANAL®, analytical standard expand 查看数据来源
包装
ampule of 100 mg expand 查看数据来源
Empirical Formula (Hill Notation)
C19H22O6 expand 查看数据来源

详细说明

详细说明

Sigma Aldrich Sigma Aldrich
Sigma Aldrich -  48870 external link
Biochem/physiol Actions
A "classical" ubiquitous plant hormone, with diverse effects, such as stilumating stem and root growth, and stimulating seed germination.1
Other Notes
Tandem Mass Spectrometry data independently generated by Scripps Center for Metabolomics is available to view or download in PDF. 48870.pdf Tested metabolites are featured on Scripps Center for Metabolomics METLIN Metabolite Database. To learn more, visit sigma.com/metlin.
Sigma Aldrich -  48880 external link
General description
Gibberellic acid is an endogenous plant growth regulator
Other Notes
Structure-activity studies2
Biochem/physiol Actions
Phytohormone that controls important aspects of plant growth: germination, elongation, and flowering. The effects are mediated by inducing degradation of the DELLA repressor protein, and probably other minor signalling pathways.1
Sigma Aldrich -  63492 external link
General description
Gibberellic acid is an endogenous plant growth regulator
Biochem/physiol Actions
Phytohormone that controls important aspects of plant growth: germination, elongation, and flowering. The effects are mediated by inducing degradation of the DELLA repressor protein, and probably other minor signalling pathways.1
Sigma Aldrich -  36575 external link
General description
Gibberellic acid is an endogenous plant growth regulator
Biochem/physiol Actions
Phytohormone that controls important aspects of plant growth: germination, elongation, and flowering. The effects are mediated by inducing degradation of the DELLA repressor protein, and probably other minor signalling pathways.1
法律信息
PESTANAL 注册商标 Sigma-Aldrich Laborchemikalien GmbH
Sigma Aldrich -  PS49 external link
General description
Gibberellic acid is an endogenous plant growth regulator
Biochem/physiol Actions
Phytohormone that controls important aspects of plant growth: germination, elongation, and flowering. The effects are mediated by inducing degradation of the DELLA repressor protein, and probably other minor signalling pathways.1

参考文献

参考文献

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专利

专利

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