56592-32-6
EFROTOMYCIN
Name
EFROTOMYCIN
Formula
C59 H88 N2 O20
MolWeight
1145.34
1Identification
【Name】
EFROTOMYCIN
【CAS】
【MDL】
MFCD01939749
【English Synonyms】
【Formula】
C59 H88 N2 O20
【MolWeight】
1145.34
【Inchi】
InChI=1S/C59H88N2O20/c1-15-17-19-27-39-58(8,9)53(80-56-45(67)50(74-13)49(35(7)76-56)79-57-51(75-14)44(66)48(73-12)34(6)77-57)52(68)59(71,81-39)36(16-2)54(69)60-29-23-22-25-32(4)46(72-11)33(5)47-43(65)42(64)38(78-47)26-21-18-20-24-31(3)41(63)40-37(62)28-30-61(10)55(40)70/h15,17-28,30,33-36,38-39,42-53,56-57,62,64-68,71H,16,29H2,1-14H3,(H,60,69)/b17-15-,20-18+,23-22+,26-21+,27-19+,31-24+,32-25+/t33-,34+,35-,36-,38-,39+,42+,43+,44-,45+,46-,47+,48+,49-,50+,51-,52-,53+,56+,57+,59-/m1/s1
【InChIKey】
InChIKey=ASOJLQIBBYOFDE-PFVYIYKISA-N
【SMILES】
CC[C@H](C(=O)NC/C=C/C=C(\C)/[C@H]([C@@H](C)[C@H]1[C@H]([C@H]([C@H](O1)/C=C/C=C/C=C(\C)/C(=O)c2c(ccn(c2=O)C)O)O)O)OC)[C@@]3([C@@H]([C@@H](C([C@@H](O3)/C=C/C=C\C)(C)C)O[C@H]4[C@H]([C@@H]([C@@H]([C@H](O4)C)O[C@H]5[C@@H]([C@@H]([C@H]([C@@H](O5)C)OC)O)OC)OC)O)O)O
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:8
H bond acceptor:22
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
EFROTOMYCIN.cml
Quick Release
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