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Lactoyl-CoA
Venetoclax
Cryptolepine
10001-82-8
Cefepime Impurity A
chem960
125265-67-0
Madecassic acid | 125265-67-0
Product Name:Madecassic acid
CAS No:
125265-67-0
MF:C30H48O6
MW:504.69852
CID:98471
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Basic Information
Names and Identifiers
Madecassic acid
(2alpha,3beta,4alpha,6beta)-2,3,6,23-Tetrahydroxy-urs-12-en-28-oic acid
ASIATIC ACID
InChIKey:PRAUVHZJPXOEIF-AOLYGAPISA-N
Inchi:InChI=1S/C30H48O6/c1-16-9-10-30(25(35)36)12-11-28(5)18(22(30)17(16)2)7-8-21-26(3)13-20(33)24(34)27(4,15-31)23(26)19(32)14-29(21,28)6/h7,16-17,19-24,31-34H,8-15H2,1-6H3,(H,35,36)/t16-,17+,19-,20-,21-,22+,23-,24+,26-,27+,28-,29-,30+/m1/s1
SMILES:C[C@@]1([C@]2([H])[C@H](O)C[C@@]3(C)[C@]4(C)CC[C@]5(CC[C@@H](C)[C@H](C)[C@@]5([H])C4=CC[C@]3([H])[C@@]2(C)C[C@@H](O)[C@@H]1O)C(=O)O)CO
Chemical and Physical Properties
Computed Properties
精确分子量: 504.34500
氢键供体数量: 5
氢键受体数量: 6
可旋转化学键数量: 2
同位素质量: 504.345089
重原子数量: 36
复杂度: 963
同位素原子数量: 0
确定原子立构中心数量: 13
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
拓扑分子极性表面积: 118
Experimental Properties
LogP: 4.00350
PSA: 118.22000
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