31685-80-0
中文名稱
紅松內(nèi)酯
英文名稱
pinusolide
CAS
31685-80-0
分子式
C21H30O4
分子量
346.46
MOL 文件
31685-80-0.mol
更新日期
2026/06/04 20:48:39
31685-80-0 結(jié)構(gòu)式
基本信息
中文別名
紅松內(nèi)酯 英文別名
pinusolide(1S,8aα)-5β-[2-(2,5-Dihydro-2-oxofuran-3-yl)ethyl]decahydro-1,4aβ-dimethyl-6-methylene-1β-naphthalenecarboxylic acid methyl ester
1-Naphthalenecarboxylicacid,5-[2-(2,5-dihydro-2-oxo-3-furanyl)ethyl]decahydro-1,4a-dimethyl-6-methylene-,methyl ester, (1S,4aR,5S,8aR)-
methyl (1S,4aR,5S,8aR)-1,4a-dimethyl-6-methylidene-5-[2-(5-oxo-2H-furan-4-yl)ethyl]-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylate
所屬類別
天然產(chǎn)物：萜類物理化學(xué)性質(zhì)
熔點(diǎn)82-84 °C(Solv: ligroine (8032-32-4))
沸點(diǎn)465.3±38.0 °C(Predicted)
密度1.10±0.1 g/cm3(Predicted)
溶解度Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc.
形態(tài)粉末
InChIInChI=1S/C21H30O4/c1-14-6-9-17-20(2,11-5-12-21(17,3)19(23)24-4)16(14)8-7-15-10-13-25-18(15)22/h10,16-17H,1,5-9,11-13H2,2-4H3/t16-,17+,20+,21-/m0/s1
InChIKeyWTKBZJAWPZXKJU-NLEAXPPASA-N
SMILES[C@]1(C)(C(OC)=O)[C@@]2([H])[C@@](C)([C@@H](CCC3=CCOC3=O)C(=C)CC2)CCC1
LogP4.520 (est)
