Isochlorogenic acid A
Isochlorogenic acid A
CAS: 2450-53-5
Molecular Formula: C25H24O12
Isochlorogenic acid A - Names and Identifiers
| Name | Isochlorogenic acid A |
| Synonyms | Isochlorogenic acid A 3,5-Dicaffeoylquinic acid 1β,4β-Dihydroxy-3β,5α-bis[3-(3,4-dihydroxyphenyl)propenoyloxy]cyclohexanecarboxylic acid 1α,4α-Dihydroxy-3β,5α-bis[3-(3,4-dihydroxyphenyl)propenoyloxy]cyclohexanecarboxylic acid 1β,4β-Dihydroxy-3β,5α-bis[3-(3,4-dihydroxyphenyl)acryloyloxy]cyclohexane-1-carboxylic acid 3α,5β-Bis[[1-oxo-3-(3,4-dihydroxyphenyl)-2-propenyl]oxy]-1α,4α-dihydroxycyclohexane-1-carboxylic acid 1β,4β-Dihydroxy-3β,5α-bis[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-1α-cyclohexanecarboxylic acid |
| CAS | 2450-53-5 |
| InChI | InChI=1/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(30)36-19-11-25(35,24(33)34)12-20(23(19)32)37-22(31)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-29,32,35H,11-12H2,(H,33,34)/b7-3+,8-4+/t19-,20-,23-,25+/m1/s1 |
| InChIKey | KRZBCHWVBQOTNZ-PSEXTPKNSA-N |
Isochlorogenic acid A - Physico-chemical Properties
| Molecular Formula | C25H24O12 |
| Molar Mass | 516.46 |
| Density | 1?+-.0.1 g/cm3(Predicted) |
| Melting Point | >175°C (dec.) |
| Boling Point | 826.2±65.0 °C(Predicted) |
| Specific Rotation(α) | - 198 (MeOH) |
| Solubility | DMSO : ≥ 50 mg/mL (96.81 mM) |
| Appearance | White powder |
| Color | Off-White to Pale Yellow |
| pKa | 3.54±0.50(Predicted) |
| Storage Condition | -20°C |
| Stability | Hygroscopic |
| Sensitive | Sensitive to light |
| Refractive Index | 1.719 |
| MDL | MFCD00951290 |
| Physical and Chemical Properties | White crystalline powder, soluble in methanol, ethanol, DMSO and other organic solvents, from honeysuckle, honeysuckle, eucommia, chrysanthemum. |
Isochlorogenic acid A - Risk and Safety
| Safety Description | 24/25 - Avoid contact with skin and eyes. |
| WGK Germany | 3 |
| RTECS | GU8403966 |
| HS Code | 29189900 |
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View History
Isochlorogenic acid A
L-Phenylalanine, chloro-, hydrochloride (1:2)
氯甲基苯乙基二甲基氯硅烷
4-甲酯基立方烷-1-羧酸
Einecs 238-362-9
二氯化[(1S)-1-(3H-咪唑基-1-嗡-4-基甲基)-2-氧代-2-甲氧基-乙基]铵
2-氯-5-硝基-6-甲基吡啶
2-羟基-5-甲基苯胺
3-氨基-2-甲氧基-6-甲基吡啶
cis-4-Hydroxy-α,α,4-trimethylcyclohexanemethanol monohydrate
L-Phenylalanine, chloro-, hydrochloride (1:2)
氯甲基苯乙基二甲基氯硅烷
4-甲酯基立方烷-1-羧酸
Einecs 238-362-9
二氯化[(1S)-1-(3H-咪唑基-1-嗡-4-基甲基)-2-氧代-2-甲氧基-乙基]铵
2-氯-5-硝基-6-甲基吡啶
2-羟基-5-甲基苯胺
3-氨基-2-甲氧基-6-甲基吡啶
cis-4-Hydroxy-α,α,4-trimethylcyclohexanemethanol monohydrate