(6aR,10aR)-3-(1,1-二甲基丁基)-6a,7,10,10a-四氢-6,6,9-三甲基-6H-二苯并[b,d]吡喃 | 259869-55-1
中文名称:
(6aR,10aR)-3-(1,1-二甲基丁基)-6a,7,10,10a-四氢-6,6,9-三甲基-6H-二苯并[b,d]吡喃
英文名称:
JW 133 (10 mg/mL in Methyl Acetate)
CAS No.:
259869-55-1
分子式:
C2 2 H3 2 O
分子量:
312.49
如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击:(6aR,10aR)-3-(1,1-二甲基丁基)-6a,7,10,10a-四氢-6,6,9-三甲基-6H-二苯并[b,d]吡喃结构式
名称和标识符
MDL
MFCD06795847
InChIKey
YSBFLLZNALVODA-RBUKOAKNSA-N
Inchi
InChI=1S/C22H32O/c1-7-12-21(3,4)16-9-10-17-18-13-15(2)8-11-19(18)22(5,6)23-20(17)14-16/h8-10,14,18-19H,7,11-13H2,1-6H3/t18-,19+/m0/s1
SMILES
CC(C1=CC2=C(C=C1)[C@@](CC(C)=CC3)([H])[C@]3([H])C(C)(C)O2)(C)CCC
别名信息
- 中文别名 -
(6aR,10aR)-3-(1,1-二甲基丁基)-6a,7,10,10a-四氢-6,6,9-三甲基-6H-二苯并[b,d]吡喃
戊唑醇
- 英文别名 -
(6aR,10aR)-3-(1,1-Dimethylbutyl)-6a,7,10,10a-tetrahydro-6,6,9-trimethyl-6H-dibenzo[b,d]pyran
JW 133
(6aR,10aR)-6,6,9-trimethyl-3-(2-methylpentan-2-yl)-6a,7,10,10a-tetrahydrobenzo[c]chromene
JWH 133
JWH 133 (in Tocrisolve™ 100)
JWH-133
EX-A1014
(6aR, 10aR)-6, 6, 9-trimethyl-3-(2-methylpentan-2-yl)-6a, 7, 10, 10a-tetrahydrobenzo[c]chromene
JW-133/JW133
GTPL747
1,1-dimethylbutyl-1-deoxy-Delta(9)-THC
NSC-792741
3-(1,1-dimethylbutyl)-6aR,7,10,10aR-tetrahydro-6,6,9-trimethyl-6H-dibenzo[b,d]pyran
NSC792741
JWH 133 (in Tocrisolvetrade mark 100)
HY-15854
Q6109195
BCP22587
259869-55-1
SCHEMBL1517632
BDBM50180036
6H-DIBENZO(B,D)PYRAN, 3-(1,1-DIMETHYLBUTYL)-6A,7,10,10A-TETRAHYDRO-6,6,9-TRIMETHYL-, (6AR,10AR)-
BCP9000807
BCP0726000079
(6aR,10aR)-3-(1,1-dimethylbutyl)-6a,7,10,10a-tetrahydro-6,6,9-trimethyl-6Hdibenzo[b,d]pyran
JW 133 (10 mg/mL in Methyl Acetate)
BJ164539
(6aR,10aR)-6,6,9-trimethyl-3-(2-methylpentan-2-yl)-6a,7,10,10a-tetrahydro-6H-benzo[c]chromene
CHEBI:146243
J-501647
DTXSID30426077
CS-5513
(6aR,10aR)-6,6,9-Trimethyl-3-(2-methyl-2-pentanyl)-6a,7,10,10a-tetrahydro-6H-benzo[c]chromene
(6AR,10AR)-3-(1,1-DIMETHYLBUTYL)-6A,7,10,10A-TETRAHYDRO-6,6,9-TRIMETHYL-6H-DIBENZO(B,D)PYRAN
UNII-TDG8048RDA
AKOS024456536
JWH133
YSBFLLZNALVODA-RBUKOAKNSA-N
(6aR,10aR)-3-(1,1-Dimethyl-butyl)-6,6,9-trimethyl-6a,7,10,10a-tetrahydro-6H-benzo[c]chromene
(6AR,10AR)-3-(1,1-DIMETHYLBUTYL)-6A,7,10,10A-TETRAHYDRO-6,6,9-TRIMETHYL-6H-DIBENZO[B,D]PYRAN
TDG8048RDA
CHEMBL371214
6H-Dibenzo[b,d]pyran, 3-(1,1-dimethylbutyl)-6a,7,10,10a-tetrahydro-6,6,9-trimethyl-, (6aR,10aR)-
物化性质
实验特性
LogP
6.37520
PSA
9.23000
折射率
1.507
沸点
382°Cat760mmHg
闪点
182.8°C
密度
0.95
计算特性
精确分子量
312.24500
氢键供体数量
0
氢键受体数量
1
可旋转化学键数量
3
同位素质量
312.245315640g/mol
重原子数量
23
复杂度
459
同位素原子数量
0
确定原子立构中心数量
2
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)
6.4
拓扑分子极性表面积
9.2Ų
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(6aR,10aR)-3-(1,1-二甲基丁基)-6a,7,10,10a-四氢-6,6,9-三甲基-6H-二苯并[b,d]吡喃推荐生产厂家
与(6aR,10aR)-3-(1,1-二甲基丁基)-6a,7,10,10a-四氢-6,6,9-三甲基-6H-二苯并[b,d]吡喃相关的问答
(6AR,10AR)-3-(1,1-二甲基丁基)-6A,7,10,10A-四氢-6,6,9-三甲基-6H-二苯并[B,D]吡喃的合成路线有哪些?
(6AR,10AR)-3-(1,1-二甲基丁基)-6A,7,10,10A-四氢-6,6,9-三甲基-6H-二苯并[B,D]吡喃的的上游原料和下游产品有哪些?