22562-67-0
中文名稱
(+)-3-Chloro-4,6-dihydroxy-2-methyl-5-[(2E)-3-methyl-5-[(1S)-1,2β,6β-trimethyl-3-oxocyclohexane-1α-yl]-2-pentenyl]benzaldehyde
英文名稱
(+)-3-Chloro-4,6-dihydroxy-2-methyl-5-[(2E)-3-methyl-5-[(1S)-1,2β,6β-trimethyl-3-oxocyclohexane-1α-yl]-2-pentenyl]benzaldehyde
CAS
22562-67-0
分子式
C23H31ClO4
分子量
406.94
MOL 文件
22562-67-0.mol
22562-67-0 結(jié)構(gòu)式
基本信息
中文別名
冬青生菌素 C 英文別名
LL-Z-1272δIlicicolin C
Antibiotic LL-Z-1272δ
Ilicicolin C >=95% (LC/MS-UV)
3-Chloro-4,6-dihydroxy-2-methyl-5-[(E)-3-methyl-5-[(1S)-1,2β,6β-trimethyl-3-oxocyclohexyl]-2-pentenyl]benzaldehyde
Benzaldehyde, 3-chloro-4,6-dihydroxy-2-methyl-5-[(2E)-3-methyl-5-[(1S,2R,6R)-1,2,6-trimethyl-3-oxocyclohexyl]-2-pentenyl]-
(+)-3-Chloro-4,6-dihydroxy-2-methyl-5-[(2E)-3-methyl-5-[(1S)-1,2β,6β-trimethyl-3-oxocyclohexan-1α-yl]-2-pentenyl]benzaldehyde
(+)-3-Chloro-4,6-dihydroxy-2-methyl-5-[(2E)-3-methyl-5-[(1S)-1,2β,6β-trimethyl-3-oxocyclohexane-1α-yl]-2-pentenyl]benzaldehyde
物理化學(xué)性質(zhì)
沸點(diǎn)544.8±29.0 °C(Predicted)
密度1.143±0.06 g/cm3(Predicted)
儲(chǔ)存條件-20°C
溶解度DMSO: 1mg/mL
酸度系數(shù)(pKa)6.31±0.50(Predicted)
形態(tài)solid
主要應(yīng)用metabolomics
vitamins, nutraceuticals, and natural products
vitamins, nutraceuticals, and natural products
InChI1S/C23H31ClO4/c1-13(10-11-23(5)14(2)7-9-19(26)16(23)4)6-8-17-21(27)18(12-25)15(3)20(24)22(17)28/h6,12,14,16,27-28H,7-11H2,1-5H3/b13-6+/t14-,16+,23+/m1/s1
InChIKeyIJEHYEVNWOYGMS-WGUBEYSISA-N
SMILESC/C(CC[C@]1(C)[C@@H](C)C(CC[C@H]1C)=O)=C\CC2=C(O)C(C=O)=C(C)C(Cl)=C2O