Aculeximycin

Structural Information

Molecular Formula

C₈₁H₁₄₄N₂O₃₃

SMILES

CCC[C@H]([C@@H](C)[C@H]([C@H](CC)/C=C/[C@@H]([C@@H](C)[C@@H]1C/C=C(/[C@H]([C@H]([C@@H](C[C@H]([C@H]([C@@H](CC2C[C@@H]([C@H]([C@](O2)(C[C@H]([C@H](CC[C@H](C[C@H](C/C=C(/C(=O)O1)\CC)O)O)C)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C)O)O[C@H]4C[C@H]([C@@H]([C@H](O4)C)O)N)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C)O)O)O)O)O)O)O)C)O)O[C@H]6[C@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)C)O)\C)O)O)O[C@H]7C[C@]([C@@H]([C@@H](O7)C)O)(C)N

InChI

InChI=1S/C81H144N2O33/c1-15-18-55(109-61-33-80(14,83)74(101)44(13)106-61)39(8)63(92)45(16-2)22-25-51(87)38(7)56-26-20-36(5)62(91)40(9)57(111-78-71(100)69(98)67(96)59(34-84)113-78)31-53(89)37(6)52(88)28-49-29-54(90)75(102)81(104,116-49)32-58(35(4)19-23-47(85)27-48(86)24-21-46(17-3)76(103)110-56)112-79-73(115-77-70(99)68(97)65(94)42(11)107-77)72(66(95)43(12)108-79)114-60-30-50(82)64(93)41(10)105-60/h20-22,25,35,37-45,47-75,77-79,84-102,104H,15-19,23-24,26-34,82-83H2,1-14H3/b25-22+,36-20+,46-21+/t35-,37-,38+,39+,40-,41+,42+,43+,44-,45+,47+,48-,49?,50+,51-,52+,53+,54-,55+,56-,57+,58+,59+,60-,61-,62+,63+,64+,65+,66+,67+,68-,69-,70+,71-,72-,73+,74+,75+,77-,78+,79-,80-,81+/m0/s1

InChIKey

VJKZKLDZOAFAEE-HVJLGTRBSA-N

Compound name

(1R,3R,4S,7R,9S,11E,15S,17E,19S,20R,21R,23R,24S,25R,29S,30R)-15-[(E,2R,3S,6R,7S,8S,9R)-9-[(2R,4S,5S,6S)-4-amino-5-hydroxy-4,6-dimethyloxan-2-yl]oxy-6-ethyl-3,7-dihydroxy-8-methyldodec-4-en-2-yl]-3-[(2R,3R,4S,5R,6R)-4-[(2S,4R,5S,6R)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-5-hydroxy-6-methyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-12-ethyl-1,7,9,19,23,25,29,30-octahydroxy-4,18,20,24-tetramethyl-21-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-14,31-dioxabicyclo[25.3.1]hentriaconta-11,17-dien-13-one

Related CIDs

• CID 6449919