469-83-0
中文名稱
咖啡油醇
英文名稱
CAFESTOL
CAS
469-83-0
分子式
C20H28O3
分子量
316.43
MOL 文件
469-83-0.mol
更新日期
2026/05/29 00:02:17
469-83-0 結(jié)構(gòu)式
基本信息
中文別名
咖啡油醇 英文別名
CAFESTOLCAFESTEROL
Ccris 1518
CAFESTOL(SH)
Cafestol (>85%)
3bα,4,5,6,7,8,9,10,10aα,10b,11,12-Dodecahydro-7β-hydroxy-10bβ-methyl-5aβ,8β-methano-5aH-cyclohepta[5,6]naphtho[2,1-b]furan-7α-methanol
(3bS,5aS,7R,8R,10aR,10bS)-3b,4,5,6,7,8,9,10,10a,10b,11,12-Dodecahydro-7-hydroxy-10b-methyl-5a,8-methano-5aH-cyclohepta[5,6]naphtho[2,1-b]furan-7-methanol
5A,8-Methano-5ah-cyclohepta(5,6)naphtho(2,1-B)furan-7-methanol, 3B,4,5,6,7,8,9,10,10A,10B,11,12-dodecahydro-7-hydroxy-10B-methyl-, (3bs,5as,7R,8R,10ar,10bs)-
5A,8-Methano-5ah-cyclohepta(5,6)naphtho(2,1-B)furan-7-methanol, 3B,4,5,6,7,8,9,10,10A,10B,11,12-dodecahydro-7-hydroxy-10B-methyl-, (3bs-(3balpha,5abeta,7beta,8beta,10aalpha,10bbeta))-
物理化學(xué)性質(zhì)
熔點(diǎn)160-162℃ (分解) (ethyl ether pentane )
比旋光度D -101°
沸點(diǎn)468.6±45.0 °C(Predicted)
密度1.23±0.1 g/cm3 (20 ºC 760 Torr)
RTECS號(hào)PB9185090
儲(chǔ)存條件-20°C Freezer, Under inert atmosphere
溶解度溶于二氯甲烷、DMSO或乙醇
酸度系數(shù)(pKa)14.44±0.40(Predicted)
形態(tài)白色至類白色固體
顏色灰白色至淺米色
旋光度 (Optical Rotation)-9724 (CHCl3)
主要應(yīng)用food and beverages
InChI1S/C20H28O3/c1-18-7-5-16-14(6-9-23-16)15(18)4-8-19-10-13(2-3-17(18)19)20(22,11-19)12-21/h6,9,13,15,17,21-22H,2-5,7-8,10-12H2,1H3/t13-,15-,17+,18-,19+,20+/m1/s1
InChIKeyDNJVYWXIDISQRD-HWUKTEKMSA-N
SMILES[o]1c2c(cc1)[C@@H]3[C@]([C@H]4[C@]5(C[C@H]([C@@](C5)(O)CO)CC4)CC3)(CC2)C
LogP4.234 (est)