104196-68-1
MANZAMINE A
Name
MANZAMINE A
Formula
C36 H44 N4 O
MolWeight
548.771
1Identification
【Name】
MANZAMINE A
【CAS】
【MDL】
MFCD00883806
【English Synonyms】
【Formula】
C36 H44 N4 O
【MolWeight】
548.771
【Inchi】
InChI=1S/C36H44N4O/c41-36-18-10-4-1-2-5-11-20-39-22-17-30(35(25-39)23-26-13-7-3-6-12-21-40(26)34(35)36)29(24-36)32-33-28(16-19-37-32)27-14-8-9-15-31(27)38-33/h1,4,7-9,13-16,19,24,26,30,34,38,41H,2-3,5-6,10-12,17-18,20-23,25H2/b4-1-,13-7-/t26?,30-,34+,35-,36-/m0/s1
【InChIKey】
InChIKey=FUCSLKWLLSEMDQ-SLKXIYNCSA-N
【SMILES】
c1ccc2c(c1)c3ccnc(c3[nH]2)C4=C[C@]5(CC/C=C\CCCCN6CC[C@@H]4[C@]7(C6)[C@H]5N8CCCC/C=C\C8C7)O
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:5
XLogP3:7.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
MANZAMINE A.cml
Quick Release
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