中文别名
野菊花内酯对照品
英文别名
6,6'-dihydroxy-6,6',9,9'-tetramethyl-3'-methylene-2,2'-dioxo-2',3a,3',3a',4,5,5',6,6a,6',7,9a,9b,9',9a',9b'-hexadecahydro-4'H-spiro[azuleno[4,5-b]furan-3,10'-[6a,9]ethanoazuleno[4,5-b]furan]-5-yl acetateSpiro[azuleno[4,5-b]furan-3(2H),10'-[4H-6a,9]ethanoazuleno[4,5-b]furan]-2,2'(3'H)-dione, 4-(acetyloxy)-3a,3'a,4,5,5',6,6',6a,7,9',9a,9'a,9b,9'b-tetradecahydro-6,6'-dihydroxy-6,6',9,9'-tetramethyl-3'-methylene-, (3R,3aR,3'aS,4S,6R,6'R,6aR,6'aR,9'R,9aR,9'aS,9bR,9'bS)-Yejuhualactone
CAS
62687-22-3
Inchi
InChI=1S/C32H40O8/c1-15-7-8-19-21(15)24-22(20(38-17(3)33)13-29(19,5)36)32(27(35)40-24)14-31-12-11-28(32,4)25(31)23-18(9-10-30(31,6)37)16(2)26(34)39-23/h7,11-12,18-25,36-37H,2,8-10,13-14H2,1,3-6H3/t18-,19+,20-,21-,22+,23-,24+,25-,28+,29+,30+,31-,32-/m0/s1
InChIkey
SZQWAXGDCUONOB-QKARTHDOSA-N
Canonical Smiles
CC1=CC[C@@H]2[C@H]1[C@@H]3[C@@H]([C@H](C[C@@]2(C)O)OC(=O)C)[C@@]4(C[C@@]56C=C[C@@]4([C@@H]5[C@@H]7[C@@H](CC[C@@]6(C)O)C(=C)C(=O)O7)C)C(=O)O3
国际化联命名
[(1'R,2'R,3R,3aR,4S,5'S,6R,6aR,9'S,9aR,9bR,10'S,11'R)-2',6-dihydroxy-2',6,9,11'-tetramethyl-6'-methylidene-2,7'-dioxospiro[4,5,6a,7,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan-3,15'-8-oxatetracyclo[9.2.2.01,10.05,9]pentadec-12-ene]-4-yl] acetate
密度：1.34
沸点：729.3°C at 760 mmHg
折射率：1.615
闪光点：235.6°C
蒸汽压：0.0±5.4 mmHg at 25°C
PSA：119.36000
logP：3.40820
溶解度：几乎不溶 (0.083 g/L) (25 oC),
颜色：Powder
物理属性：白色粉末，可溶于甲醇、乙醇、DMSO等有机溶剂，来源于野菊花。
酸度系数（pka）：14.34±0.70(Predicted)
