Nsc165152

Structural Information

Molecular Formula

C₇₉H₉₈N₆O₂₆

SMILES

C[C@@H]/1[C@@H]([C@H]([C@H]([C@H]([C@@H]([C@@H]([C@H](/C=C/O[C@]2(OC3=C(C2=O)C4=C(C(=C(NC(=O)/C(=C\C=C1)/C)C(=C4C(=C3C)O)O)/C=N/NC(=O)CC(=O)N/N=C/C5=C6NC(=O)/C(=C\C=C\[C@@H]([C@@H]([C@H]([C@H]([C@H]([C@@H]([C@@H]([C@H](/C=C/O[C@]7(OC8=C(C7=O)C(=C5O)C(=C6O)C(=C8C)O)C)OC)C)OC(=O)C)C)O)C)O)C)/C)O)C)OC)C)OC(=O)C)C)O)C)O

InChI

InChI=1S/C79H98N6O26/c1-32-21-19-23-34(3)76(102)82-58-46(66(96)52-54(68(58)98)64(94)42(11)72-56(52)74(100)78(15,110-72)106-27-25-48(104-17)36(5)70(108-44(13)86)40(9)62(92)38(7)60(32)90)30-80-84-50(88)29-51(89)85-81-31-47-59-69(99)55-53(67(47)97)57-73(43(12)65(55)95)111-79(16,75(57)101)107-28-26-49(105-18)37(6)71(109-45(14)87)41(10)63(93)39(8)61(91)33(2)22-20-24-35(4)77(103)83-59/h19-28,30-33,36-41,48-49,60-63,70-71,90-99H,29H2,1-18H3,(H,82,102)(H,83,103)(H,84,88)(H,85,89)/b21-19+,22-20+,27-25+,28-26+,34-23-,35-24-,80-30+,81-31+/t32-,33-,36+,37+,38+,39+,40+,41+,48-,49-,60-,61-,62+,63+,70+,71+,78-,79-/m0/s1

InChIKey

KOWDRPRWEDYPAB-VXGWIYQVSA-N

Compound name

[(7S,9E,11S,12R,13S,14R,15R,16R,17S,18S,19E,21Z)-26-[(E)-[[3-[(2E)-2-[[(7S,9E,11S,12R,13S,14R,15R,16R,17S,18S,19E,21Z)-13-acetyloxy-2,15,17,27,29-pentahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23-dioxo-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]triaconta-1(29),2,4,9,19,21,25,27-octaen-26-yl]methylidene]hydrazinyl]-3-oxopropanoyl]hydrazinylidene]methyl]-2,15,17,27,29-pentahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23-dioxo-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]triaconta-1(29),2,4,9,19,21,25,27-octaen-13-yl] acetate

Related CIDs

• CID 16130194