219944-46-4
ISOESCIN IB
Name
ISOESCIN IB
Formula
C55 H86 O24
MolWeight
1131.26
1Identification
【Name】
ISOESCIN IB
【CAS】
【MDL】
MFCD12031630
【English Synonyms】
【Formula】
C55 H86 O24
【MolWeight】
1131.26
【Inchi】
InChI=1S/C55H86O24/c1-10-23(2)46(71)79-44-43(68)55(22-72-24(3)59)26(17-50(44,4)5)25-11-12-30-51(6)15-14-32(52(7,21-58)29(51)13-16-53(30,8)54(25,9)18-31(55)60)75-49-41(77-48-38(66)36(64)34(62)28(20-57)74-48)39(67)40(42(78-49)45(69)70)76-47-37(65)35(63)33(61)27(19-56)73-47/h10-11,26-44,47-49,56-58,60-68H,12-22H2,1-9H3,(H,69,70)/b23-10-/t26-,27+,28+,29+,30+,31+,32-,33+,34+,35-,36-,37+,38+,39-,40-,41+,42-,43-,44-,47-,48-,49+,51-,52+,53+,54+,55-/m0/s1
【InChIKey】
InChIKey=YOSIWGSGLDDTHJ-OXPBSUTMSA-N
【SMILES】
C/C=C(/C)\C(=O)O[C@H]1[C@@H]([C@]2([C@@H](CC1(C)C)C3=CC[C@@H]4[C@]5(CC[C@@H]([C@]([C@@H]5CC[C@]4([C@@]3(C[C@H]2O)C)C)(C)CO)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)O)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)C)COC(=O)C)O
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:13
H bond acceptor:24
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
ISOESCIN IB.cml
Quick Release
4-(7-CHLORO-2H-1,3-BENZODIOXOL-5-YL)-2-PROPYL-1,3-THIAZOL-5-AMINE
4-(2,5-DIFLUOROPHENYL)-2-PROPYL-1,3-THIAZOL-5-AMINE
4-[4-(PROPAN-2-YLOXY)PHENYL]-2-PROPYL-1,3-THIAZOL-5-AMINE
4-(4-CHLORO-3-FLUOROPHENYL)-2-PROPYL-1,3-THIAZOL-5-AMINE
4-(2-PHENYLPROPYL)-2-PROPYL-1,3-THIAZOL-5-AMINE
4-CHLORO-3-(5-PROPYL-1H-1,2,3,4-TETRAZOL-1-YL)BENZOIC ACID
TOP Suppliers
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Catalog No:AC-PTN32387 1G
Catalog No:AC-PTN32387 2G
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Business Type:Trading Company
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4-(7-CHLORO-2H-1,3-BENZODIOXOL-5-YL)-2-PROPYL-1,3-THIAZOL-5-AMINE
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