96236-60-1

Structural Information

Molecular Formula

C₇₃H₁₁₄N₆O₂₄

SMILES

CC(C)C[C@@H](C(=O)OC)NC(=O)N[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@H]2CC[C@]3([C@H](C2(C)C)CC[C@@]4([C@@H]3C(=O)C=C5[C@]4(CC[C@@]6([C@H]5C[C@@](CC6)(C)NC(=O)N[C@@H](CC(C)C)C(=O)OC)C)C)C)C)O[C@H]7[C@@H]([C@H]([C@@H]([C@@H](O7)NC(=O)N[C@@H](CC(C)C)C(=O)OC)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C

InChI

InChI=1S/C73H114N6O24/c1-35(2)30-45(60(86)92-19)74-65(89)77-58-54(98-41(10)83)52(96-39(8)81)56(101-64-55(99-42(11)84)51(95-38(7)80)53(97-40(9)82)59(103-64)78-66(90)75-46(31-36(3)4)61(87)93-20)63(102-58)100-50-23-24-71(16)49(68(50,12)13)22-25-73(18)57(71)48(85)33-43-44-34-70(15,28-26-69(44,14)27-29-72(43,73)17)79-67(91)76-47(32-37(5)6)62(88)94-21/h33,35-37,44-47,49-59,63-64H,22-32,34H2,1-21H3,(H2,74,77,89)(H2,75,78,90)(H2,76,79,91)/t44-,45-,46-,47-,49-,50-,51-,52-,53-,54-,55+,56+,57+,58-,59+,63+,64+,69+,70-,71-,72+,73+/m0/s1

InChIKey

VLQGZMZGVYKSEK-BUYHPJMDSA-N

Compound name

methyl (2S)-2-[[(2S,3S,4S,5R,6R)-6-[[(3S,4aR,6aR,6bS,8aS,11S,12aR,14aR,14bS)-11-[[(2S)-1-methoxy-4-methyl-1-oxopentan-2-yl]carbamoylamino]-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl]oxy]-3,4-diacetyloxy-5-[(2R,3R,4S,5S,6R)-3,4,5-triacetyloxy-6-[[(2S)-1-methoxy-4-methyl-1-oxopentan-2-yl]carbamoylamino]oxan-2-yl]oxyoxan-2-yl]carbamoylamino]-4-methylpentanoate

Related CIDs

• CID 71301250