17650-86-1
AMICETIN-A
Name
AMICETIN-A
Formula
C29 H42 N6 O9
MolWeight
618.684
1Identification
【Name】
AMICETIN-A
【CAS】
【MDL】
MFCD01674585
【English Synonyms】
【Formula】
C29 H42 N6 O9
【MolWeight】
618.684
【Inchi】
InChI=1S/C29H42N6O9/c1-15-19(44-26-24(38)22(34(4)5)23(37)16(2)43-26)10-11-21(42-15)35-20(12-13-31-28(35)41)33-25(39)17-6-8-18(9-7-17)32-27(40)29(3,30)14-36/h6-9,12-13,15-16,19,21-24,26,36-38H,10-11,14,30H2,1-5H3,(H,32,40)(H,33,39)/t15-,16-,19+,21-,22+,23-,24-,26-,29+/m1/s1
【InChIKey】
InChIKey=CDGURQHCNOCOQD-BWCLGFBSSA-N
【SMILES】
C[C@@H]1[C@H](CC[C@@H](O1)n2c(ccnc2=O)NC(=O)c3ccc(cc3)NC(=O)[C@](C)(CO)N)O[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C)O)N(C)C)O
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:6
H bond acceptor:15
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
AMICETIN-A.cml
Quick Release
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