Analytenname

Antibiotic A21 (Technical Grade)

CAS-Nummer

1383659-59-3

Molekularformel

C54H82N4O18

Molekulargewicht

1075.24

Genaue Masse

1074.5624

SMILES

COC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]2[C@@H](O)C[C@@]3(O)C[C@@H](O)C[C@@H](O)[C@H](O)CC[C@@H](O)C[C@@H](O)CC(=O)O[C@@H](C)[C@H](C)[C@H](O)[C@@H](C)\C=C\C=C\C=C\C=C\C=C\C=C\C=C\[C@@H](C[C@@H]2O3)O[C@@H]4O[C@H](C)[C@@H](O)[C@H](N)[C@@H]4O

InChI

InChI=1S/C54H82N4O18/c1-31-18-16-14-12-10-8-6-7-9-11-13-15-17-19-39(75-53-50(68)47(55)49(67)34(4)74-53)26-44-46(51(69)58-40(52(70)72-5)22-35-29-56-30-57-35)43(64)28-54(71,76-44)27-38(61)24-42(63)41(62)21-20-36(59)23-37(60)25-45(65)73-33(3)32(2)48(31)66/h6-19,29-34,36-44,46-50,53,59-64,66-68,71H,20-28,55H2,1-5H3,(H,56,57)(H,58,69)/b7-6+,10-8+,11-9+,14-12+,15-13+,18-16+,19-17+/t31-,32-,33-,34+,36+,37+,38-,39-,40-,41+,42+,43-,44-,46+,47-,48+,49+,50-,53-,54+/m0/s1

IUPAC

methyl (2S)-2-[[(1S,3R,4E,6E,8E,10E,12E,14E,16E,18S,19R,20R,21S,25R,27R,30R,31R,33S,35R,37S,38R)-3-[(2R,3S,4S,5S,6R)-4-amino-3,5-dihydroxy-6-methyloxan-2-yl]oxy-19,25,27,30,31,33,35,37-octahydroxy-18,20,21-trimethyl-23-oxo-22,39-dioxabicyclo[33.3.1]nonatriaconta-4,6,8,10,12,14,16-heptaene-38-carbonyl]amino]-3-(1H-imidazol-5-yl)propanoate

Lagertemperatur

-20°C

Versandtemperatur

Blue Ice

Herkunftsland

CANADA

Produktformat

Neat