96236-61-2

Structural Information

Molecular Formula

C₆₄H₉₆N₆O₂₄

SMILES

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](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](C)C(=O)OC)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C

InChI

InChI=1S/C64H96N6O24/c1-29(51(77)83-16)65-56(80)68-49-45(89-35(7)74)43(87-33(5)72)47(92-55-46(90-36(8)75)42(86-32(4)71)44(88-34(6)73)50(94-55)69-57(81)66-30(2)52(78)84-17)54(93-49)91-41-20-21-62(13)40(59(41,9)10)19-22-64(15)48(62)39(76)27-37-38-28-61(12,70-58(82)67-31(3)53(79)85-18)25-23-60(38,11)24-26-63(37,64)14/h27,29-31,38,40-50,54-55H,19-26,28H2,1-18H3,(H2,65,68,80)(H2,66,69,81)(H2,67,70,82)/t29-,30-,31-,38-,40-,41-,42-,43-,44-,45-,46+,47+,48+,49-,50+,54+,55+,60+,61-,62-,63+,64+/m0/s1

InChIKey

KFVREFPNQODUCK-OJSNWLMTSA-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-1-oxopropan-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-1-oxopropan-2-yl]carbamoylamino]oxan-2-yl]oxyoxan-2-yl]carbamoylamino]propanoate

Related CIDs

• CID 71301251