alpha-香树精 | 638-95-9
中文名称:
alpha-香树精
英文名称:
α-Amyrin
CAS No.:
638-95-9
分子式:
C3 0 H5 0 O
分子量:
426.72
名称和标识符
MDL
MFCD00016754
InChIKey
FSLPMRQHCOLESF-SFMCKYFRSA-N
Inchi
1S/C30H50O/c1-19-11-14-27(5)17-18-29(7)21(25(27)20(19)2)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h9,19-20,22-25,31H,10-18H2,1-8H3/t19-,20+,22?,23-,24+,25+,27-,28+,29-,30-/m1/s1
SMILES
C[C@@H]1CC[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@@H](C(C)(C)[C@@H]5CC[C@]43C)O)[C@@H]2[C@H]1C
别名信息
- 中文别名 -
alpha-香树精
alpha-香树脂醇
α-香树精
α-香树脂
α-香树脂醇
- 英文别名 -
alpha-Amyrin
Urs-12-en-3beta-ol
Viminalol
α-Amyrin
AMYRIN, a-(AS)
AMYRIN, A-(SH)
α-Amyrine
α-Amyrineneat
12a,14,14a,14b-icosahydropicen-3-ol
4,4,6a,6b,8a,11,12,14b-octamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a
4,4,6a,6b,8a,11,12,14b-octamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-ol
A-AMYRIN
A-amyrin with hplc
AMYRIN,A
Urs-12-en-3-ol
Urs-12-en-3β-ol
638-95-9
30ZAG40J8N
EX-A6942
(3S,4aR,6aR,6bS,8aR,11R,12S,12aR,14aR,14bR)-4,4,6a,6b,8a,11,12,14b-Octamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-eicosahydro-picen-3-ol
NSC-114787
alpha-Amyrenol
EINECS 211-352-1
alpha-Amyrine
.ALPHA.-AMYRIN [MI]
(3.beta.)-Urs-12-en-3-ol
NSC 114787
(3beta)-urs-12-en-3-ol
SCHEMBL377781
UNII-30ZAG40J8N
3beta-HYDROXYURS-12-ENE
AKOS024319514
NSC785140
Urs-12-en-3-ol, (3beta)-
MFCD00016754
DTXSID701025612
FS-7707
CHEMBL455357
alpha -Amyrin
CHEBI:10213
(3S,4aR,6aR,6bS,8aR,11R,12S,12aR,14aR,14bR)-4,4,6a,6b,8a,11,12,14b-octamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picen-3-ol
NS00042072
alpha-Amyrin, analytical standard
alfa-Amyrin
amyrin, (3alpha)-isomer
CS-0144137
Q2501558
5alpha-urs-12-en-3beta-ol
3.BETA.-HYDROXYURS-12-ENE
BDBM50241956
LMPR0106170001
urs-12-ene-3beta-ol
NSC-785140
.alpha.-Amyrenol
C08615
Urs-12-en-3-ol, (3b)-
HY-N8423
(3S,4aR,6aR,6bS,8aR,11R,12S,12aR,14aR,14bR)-4,4,6a,6b,8a,11,12,14b-octamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-ol
D85201
AMYRIN, ALPHA-
Urs-12-en-3-ol, (3.beta.)-
FSLPMRQHCOLESF-UHFFFAOYSA-N
Urs-12-en-3.beta.-ol
.alpha.-Amyrine
SMP2_000308
DTXSID30871801
A834570
Urs-12-en-3-ol #
.alpha.-Amyrin
4,4,6a,6b,8a,11,12,14b-octamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picen-3-ol
NSC114787
viminalol
alpha-amyrine
Alpha-amyrin
�-amyrin
α-Amyrin
ConMedNP.2742
alpha-amyrenol
物化性质
实验特性
LogP
8.02480
PSA
20.23000
折射率
1.4910 (estimate)
沸点
bp0.7 243°
熔点
178-183°C
颜色与性状
Powder
溶解性
溶于22份98%的乙醇、乙醚、苯、氯仿和冰乙酸,微溶于石油醚。
比旋光度
D17 +91.6° (c = 1.3 in benzene)
密度
0.9600 (rough estimate)
计算特性
精确分子量
426.38600
氢键供体数量
1
氢键受体数量
1
可旋转化学键数量
0
同位素质量
426.386166214g/mol
重原子数量
31
复杂度
779
同位素原子数量
0
确定原子立构中心数量
10
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)
9
表面电荷
0
拓扑分子极性表面积
20.2
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