50935-71-2
ANTIBIOTIC MYC-8003
Name
ANTIBIOTIC MYC-8003
Formula
C43 H60 N2 O12
MolWeight
796.949
1Identification
【Name】
ANTIBIOTIC MYC-8003
【CAS】
【MDL】
MFCD00467139
【English Synonyms】
【Formula】
C43 H60 N2 O12
【MolWeight】
796.949
【Inchi】
InChI=1S/C43H60N2O12/c1-9-11-13-21-31-42(6,7)38(50)39(51)43(54,57-31)28(10-2)40(52)44-23-17-16-19-26(4)36(55-8)27(5)37-35(49)34(48)30(56-37)20-15-12-14-18-25(3)33(47)32-29(46)22-24-45-41(32)53/h9,11-22,24,27-28,30-31,34-39,48-51,54H,10,23H2,1-8H3,(H,44,52)(H2,45,46,53)/b11-9-,14-12+,17-16+,20-15+,21-13+,25-18+,26-19+/t27-,28-,30-,31+,34+,35+,36-,37+,38+,39-,43-/m1/s1
【InChIKey】
InChIKey=HMSYAPGFKGSXAJ-PAHGNTJYSA-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(cc[nH]c2=O)O)O)O)OC)[C@@]3([C@@H]([C@@H](C([C@@H](O3)/C=C/C=C\C)(C)C)O)O)O
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:8
H bond acceptor:14
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
ANTIBIOTIC MYC-8003.cml
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