去氢木香内酯 | 16836-47-8
去氢木香内酯
Azuleno[4,5-b]furan-2,8(3H,4H)-dione,octahydro-3,6,9-tris(methylene)-, (3aS,6aR,9aR,9bS)-
16836-47-8
C15H18O2
230.30222
如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击:去氢木香内酯结构式
名称和标识符
InChIKey |
NETSQGRTUNRXEO-UHFFFAOYSA-N |
Inchi |
InChI=1S/C15H18O2/c1-8-4-7-12-10(3)15(16)17-14(12)13-9(2)5-6-11(8)13/h11-14H,1-7H2 |
SMILES |
C=C1CCC2C(C(OC2C2C(CCC12)=C)=O)=C |
别名信息
- 英文别名 -
- Azuleno[4,5-b]furan-2,8(3H,4H)-dione,octahydro-3,6,9-tris(methylene)-, (3aS,6aR,9aR,9bS)-
- 3,6,9-trimethylidene-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-2-one
- DEHYDROCOSTUS LACTONE
- 1b-Guaia-4(15),10(14),11(13)-trien-12-oicacid, 6a-hydroxy-3-oxo-, g-lactone (8CI)
- 3-Oxodehydrocostuslactone
- Azuleno[4,5-b]furan-2,8(3H,4H)-dione, octahydro-3,6,9-tris(methylene)-,[3aS-(3aa,6aa,9aa,9bb)]-
- Dehydrozaluzanin C
- Zaluzanin C, dehydro-
- 3,6,9-trimethylidene-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]uran-2-one
- AS-73882
- FT-0654275
- CHEBI:181589
- NETSQGRTUNRXEO-UHFFFAOYSA-N
- 3,6,9-TRIMETHYLIDENE-DODECAHYDROAZULENO[4,5-B]FURAN-2-ONE
- (-)-Dehydrocostus lactone
- Epiligulyl oxide
- SCHEMBL936050
- 74299-48-2
- Azuleno[4,5-b]furan-2(3H)-one, decahydro-3,6,9-tris(methylene)-,(3aS,6aR,9aR,9bS)-
- (3aS,6aR,9aR,9bS)-3,6,9-trimethylidene-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-2-one
- (3aS,6aR,9aR,9bS)-3,6,9-trimethylidene-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-2-one
- 3,6,9-trimethylene-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-2-one
- 3,6,9-trimethylene-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-2-one
- Dehydro-alpha-curcumene
- Dehydro-alpha-curcumene
- AKOS015894380
- AKOS015894380
- 16836-47-8
- 16836-47-8
- A827324
- A827324
- CHEMBL1939730
- CHEMBL1939730
- A810962
- A810962
物化性质
计算特性
精确分子量 |
230.131 |
氢键供体数量 |
0 |
氢键受体数量 |
2 |
可旋转化学键数量 |
0 |
同位素质量 |
230.131 |
重原子数量 |
17 |
复杂度 |
432 |
同位素原子数量 |
0 |
确定原子立构中心数量 |
0 |
不确定原子立构中心数量 |
4 |
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) |
2.6 |
拓扑分子极性表面积 |
26.3A^2 |
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