96128-89-1
醋硬脂红霉素
Name
醋硬脂红霉素
pro_formula
C39 H69 N O14 . C18 H36 O2
pro_molWeight
1060.45
1Identification
【Name】
醋硬脂红霉素
【CAS】
【MDL】
MFCD00865126
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C39 H69 N O14 . C18 H36 O2
【pro_molWeight】
1060.45
【Inchi】
InChI=1S/C39H69NO14.C18H36O2/c1-15-27-39(11,47)32(43)21(4)29(42)19(2)17-37(9,46)34(54-36-31(51-25(8)41)26(40(12)13)16-20(3)49-36)22(5)30(23(6)35(45)52-27)53-28-18-38(10,48-14)33(44)24(7)50-28;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h19-24,26-28,30-34,36,43-44,46-47H,15-18H2,1-14H3;2-17H2,1H3,(H,19,20)/t19-,20-,21+,22+,23-,24+,26+,27-,28+,30+,31-,32-,33+,34-,36+,37-,38-,39-;/m1./s1
【InChIKey】
InChIKey=FPEVNWDVXZGKCD-SAVXWCSHSA-N
【SMILES】
CCCCCCCCCCCCCCCCCC(=O)O.CC[C@@H]1[C@@]([C@@H]([C@H](C(=O)[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)OC(=O)C)(C)O)C)C)O)(C)O
【MOL File】
2ChemicalProperties
【ComputedProperties】
pro_donors:4
pro_acceptors:15
XLogP3:1.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
醋硬脂红霉素.cml
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