所有图片(1)
About This Item
经验公式（希尔记法）:
C12H12O5
CAS号:
分子量:
236.22
MDL编号:
UNSPSC代码:
12352205
PubChem化学物质编号:
NACRES:
NA.25
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方案
≥95% (LC/MS-ELSD)
表单
solid
应用
metabolomics
vitamins, nutraceuticals, and natural products
储存温度
−20°C
SMILES字符串
O1C=C2[C@@H]([C@](C(=O)C(=C2C=C1C)C=O)(O)C)O
InChI
1S/C12H12O5/c1-6-3-7-8(4-13)10(14)12(2,16)11(15)9(7)5-17-6/h3-5,11,15-16H,1-2H3/t11-,12-/m0/s1
InChI key
QVMUHZHZYCDMAI-RYUDHWBXSA-N
一般描述
Natural product derived from fungal source.
警示用语：
Danger
危险声明
危险分类
Acute Tox. 3 Oral - Repr. 1B
储存分类代码
6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects
WGK
WGK 3
闪点(°F)
Not applicable
闪点(°C)
Not applicable
法规信息
新产品
历史批次信息供参考:
Leonardo Lo Presti et al.
The journal of physical chemistry. B, 110(12), 6405-6414 (2006-03-24)
The total experimental electron density rho(r), its Laplacian inverted delta(2)rho(r), the molecular dipole moment, the electrostatic potential phi(r), and the intermolecular interaction energies have been obtained from an extensive set of single-crystal X-ray diffracted intensities, collected at T = 70(1)
Leonardo Lo Presti et al.
Acta crystallographica. Section C, Crystal structure communications, 59(Pt 4), O199-O201 (2003-04-12)
The title compound, (7R,8S)-7,8-dihydroxy-3,7-dimethyl-6-oxo-7,8-dihydro-6H-isochromene-5-carbaldehyde, C(12)H(12)O(5), is a trans-vicinal diol. Of the two fused rings, which lie approximately in the same plane, the pyran ring is almost perfectly planar, while the cyclohexenone ring adopts a slightly distorted half-chair conformation. The crystal
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