2(5H)-呋喃酮,3-[(2R)-9-[(2R,5S)-5-[(1S,4R)-1,4-二羟基-4-[(2R,5R)-四氢呋喃-5-[(1S)-1-羟基十一烷基]-2-呋喃基]丁基]四氢呋喃基]-2-羟基壬基]-5-甲基-(5S)- | 152323-84-7
2(5H)-呋喃酮,3-[(2R)-9-[(2R,5S)-5-[(1S,4R)-1,4-二羟基-4-[(2R,5R)-四氢呋喃-5-[(1S)-1-羟基十一烷基]-2-呋喃基]丁基]四氢呋喃基]-2-羟基壬基]-5-甲基-(5S)-
2(5H)-Furanone,3-[(2R)-9-[(2R,5S)-5-[(1S,4R)-1,4-dihydroxy-4-[(2R,5R)-tetrahydro-5-[(1S)-1-hydroxyundecyl]-2-furanyl]butyl]tetrahydro-2-furanyl]-2-hydroxynonyl]-5-methyl-,(5S)-
152323-84-7
C37H66O8
638.91514
名称和标识符
InChIKey |
HKMBLJVHVBJAIH-VCWFTESGSA-N |
Inchi |
InChI=1S/C37H66O8/c1-3-4-5-6-7-8-12-15-18-31(39)35-23-24-36(45-35)33(41)21-20-32(40)34-22-19-30(44-34)17-14-11-9-10-13-16-29(38)26-28-25-27(2)43-37(28)42/h25,27,29-36,38-41H,3-24,26H2,1-2H3/t27-,29+,30?,31?,32?,33?,34?,35?,36?/m1/s1 |
SMILES |
CCCCCCCCCCC(C1CCC(C(CCC(C2CCC(CCCCCCC[C@@H](CC3=C[C@@H](C)OC3=O)O)O2)O)O)O1)O |
别名信息
- 英文别名 -
- 2(5H)-Furanone,3-[(2R)-9-[(2R,5S)-5-[(1S,4R)-1,4-dihydroxy-4-[(2R,5R)-tetrahydro-5-[(1S)-1-hydroxyundecyl]-2-furanyl]butyl]tetrahydro-2-furanyl]-2-hydroxynonyl]-5-methyl-,(5S)-
- 2(5H)-Furanone,3-[(2R)-9-[(2R,5S)-5-[(1S,4R)-1,4-dihydroxy-4-[(2R,5R)-tetrahydro-5-[(1S)-1-hydroxyundecyl]-2-furanyl]butyl]te
- 125882-64-6
- C08505
- 150134-21-7
- 3-(9-(5-(1,4-Dihydroxy-4-(5-(1-hydroxyundecyl)tetrahydro-2-furanyl)butyl)tetrahydro-2-furanyl)-2-hydroxynonyl)-5-methyl-2(5H)-furanone
- NSC634802
- 2(5H)-Furanone, 3-(9-(5-(1,4-dihydroxy-4-(tetrahydro-5-(1-hydroxyundecyl)-2-furanyl)butyl)tetrahydro-2-furanyl)-2-hydroxynonyl)-5-methyl-
- CHEBI:8643
- Purpureacin 1
- Annonin IV
- Purpureacin-1
- Bullatalicin
- 4-[9-[5-[1,4-dihydroxy-4-[5-(1-hydroxyundecyl)oxolan-2-yl]butyl]oxolan-2-yl]-2-hydroxynonyl]-2-methyl-2H-furan-5-one
- Crassiflorin
- Squamostatin C
- DTXSID80925308
- 3-[9-(5-{1,4-Dihydroxy-4-[5-(1-hydroxyundecyl)oxolan-2-yl]butyl}oxolan-2-yl)-2-hydroxynonyl]-5-methylfuran-2(5H)-one
- 4-[9-[5-[1,4-dihydroxy-4-[5-(1-hydroxyundecyl)tetrahydrofuran-2-yl]butyl]tetrahydrofuran-2-yl]-2-hydroxy-nonyl]-2-methyl-2H-furan-5-one
- Q27108124
- Cherimolin 2
- 152323-84-7
- HKMBLJVHVBJAIH-UHFFFAOYSA-N
物化性质
实验特性
PSA |
125.68 |
折射率 |
1.511 |
沸点 |
776.4°Cat760mmHg |
闪点 |
230.6°C |
密度 |
1.076 |
计算特性
精确分子量 |
638.47598 |
氢键供体数量 |
4 |
氢键受体数量 |
8 |
可旋转化学键数量 |
25 |
同位素质量 |
638.476 |
重原子数量 |
45 |
复杂度 |
833 |
同位素原子数量 |
0 |
确定原子立构中心数量 |
9 |
不确定原子立构中心数量 |
0 |
确定化学键立构中心数量 |
0 |
不确定化学键立构中心数量 |
0 |
共价键单元数量 |
1 |
疏水参数计算参考值(XlogP) |
8.2 |
拓扑分子极性表面积 |
126A^2 |