16 tar tricyclo-dna fam

Structural Information

Molecular Formula

C₂₂₄H₂₄₆N₅₇O₁₀₀P₁₅

SMILES

C[C@H]1C[C@@]2(C[C@@H](O[C@@H]2[C@]1(C)OP(=O)(O)O[C@]34C[C@@H]5C[C@@]5([C@H]3O[C@H](C4)N6C=NC7=C6N=C(NC7=O)N)OP(=O)(O)O[C@]89C[C@@H]([C@@]([C@H]8O[C@H](C9)N1C=NC2=C(N=CN=C21)N)(C)OP(=O)(O)O[C@]12C[C@@H]3C[C@@]3([C@H]1O[C@H](C2)N1C=CC(=NC1=O)N)OP(=O)(O)O[C@]12C[C@@H]3C[C@@]3([C@H]1O[C@H](C2)N1C=C(C(=O)NC1=O)C)OP(=O)(O)O[C@]12C[C@@H]3C[C@@]3([C@H]1O[C@H](C2)N1C=CC(=NC1=O)N)OP(=O)(O)O[C@]12C[C@@H]3C[C@@]3([C@H]1O[C@H](C2)N1C=NC2=C1N=C(NC2=O)N)OP(=O)(O)O[C@]12C[C@@H]3C[C@@]3([C@H]1O[C@H](C2)N1C=NC2=C1N=C(NC2=O)N)OP(=O)(O)O[C@]12C[C@@H]3C[C@@]3([C@H]1O[C@H](C2)N1C=NC2=C(N=CN=C21)N)OP(=O)(O)O[C@]12C[C@@H]3C[C@@]3([C@H]1O[C@H](C2)N1C=CC(=NC1=O)N)OP(=O)(O)O[C@]12C[C@@H]3C[C@@]3([C@H]1O[C@H](C2)N1C=CC(=NC1=O)N)OP(=O)(O)O[C@]12C[C@@H]3C[C@@]3([C@H]1O[C@H](C2)N1C=CC(=NC1=O)N)OP(=O)(O)O[C@]12C[C@@H]3C[C@@]3([C@H]1O[C@H](C2)N1C=C(C(=O)NC1=O)C)OP(=O)(O)O[C@]12C[C@@H]3C[C@@]3([C@H]1O[C@H](C2)N1C=CC(=NC1=O)N)O)C)N1C=NC2=C(N=CN=C21)N)OP(=O)(O)O[C@]12C[C@H]1C[C@]1([C@@H]2O[C@H](C1)N1C=C(C(=O)NC1=O)C)OP(=O)(O)O[C@]12C[C@H]1C[C@]1([C@@H]2O[C@H](C1)N1C=CC(=NC1=O)N)OC(=O)C1=CC2=C(C=C1)C(=O)OC21C2=C(C=C(C=C2)O)OC2=C1C=CC(=C2)O

InChI

InChI=1S/C224H246N57O100P15/c1-89-77-273(189(299)263-155(89)284)131-68-203(363-387(313,314)369-211-48-96(211)34-194(61-124(337-166(194)211)266-21-14-117(225)250-182(266)292)350-161(290)94-8-11-111-114(28-94)224(351-162(111)291)112-12-9-109(282)29-115(112)333-116-30-110(283)10-13-113(116)224)40-102-54-217(102,172(203)343-131)370-384(307,308)354-195-32-93(5)193(7,164(195)335-134(71-195)276-83-244-140-146(232)238-80-241-149(140)276)353-383(305,306)358-206-43-105-57-220(105,175(206)347-137(74-206)279-86-247-143-152(279)257-179(235)260-158(143)287)371-385(309,310)355-196-31-92(4)192(6,163(196)334-135(72-196)277-84-245-141-147(233)239-81-242-150(141)277)352-382(303,304)357-198-35-97-49-212(97,167(198)338-126(63-198)268-23-16-119(227)252-184(268)294)373-392(323,324)365-205-42-104-56-219(104,174(205)345-133(70-205)275-79-91(3)157(286)265-191(275)301)378-390(319,320)361-201-39-101-53-216(101,171(201)342-129(66-201)271-26-19-122(230)255-187(271)297)377-395(329,330)367-208-45-108-60-223(108,177(208)348-138(75-208)280-87-248-144-153(280)258-180(236)261-159(144)288)381-396(331,332)368-209-46-107-59-222(107,178(209)349-139(76-209)281-88-249-145-154(281)259-181(237)262-160(145)289)380-394(327,328)366-207-44-106-58-221(106,176(207)346-136(73-207)278-85-246-142-148(234)240-82-243-151(142)278)379-391(321,322)362-202-37-99-51-214(99,169(202)340-130(67-202)272-27-20-123(231)256-188(272)298)375-388(315,316)359-199-36-98-50-213(98,168(199)339-127(64-199)269-24-17-120(228)253-185(269)295)374-389(317,318)360-200-38-100-52-215(100,170(200)341-128(65-200)270-25-18-121(229)254-186(270)296)376-393(325,326)364-204-41-103-55-218(103,173(204)344-132(69-204)274-78-90(2)156(285)264-190(274)300)372-386(311,312)356-197-33-95-47-210(95,302)165(197)336-125(62-197)267-22-15-118(226)251-183(267)293/h8-30,77-88,92-93,95-108,124-139,163-178,282-283,302H,31-76H2,1-7H3,(H,303,304)(H,305,306)(H,307,308)(H,309,310)(H,311,312)(H,313,314)(H,315,316)(H,317,318)(H,319,320)(H,321,322)(H,323,324)(H,325,326)(H,327,328)(H,329,330)(H,331,332)(H2,225,250,292)(H2,226,251,293)(H2,227,252,294)(H2,228,253,295)(H2,229,254,296)(H2,230,255,297)(H2,231,256,298)(H2,232,238,241)(H2,233,239,242)(H2,234,240,243)(H,263,284,299)(H,264,285,300)(H,265,286,301)(H3,235,257,260,287)(H3,236,258,261,288)(H3,237,259,262,289)/t92-,93-,95+,96+,97+,98+,99+,100+,101+,102+,103+,104+,105+,106+,107+,108+,124+,125+,126+,127+,128+,129+,130+,131+,132+,133+,134+,135+,136+,137+,138+,139+,163+,164+,165-,166-,167-,168-,169-,170-,171-,172-,173-,174-,175-,176-,177-,178-,192+,193+,194-,195-,196-,197-,198-,199-,200-,201-,202-,203-,204-,205-,206-,207-,208-,209-,210+,211+,212+,213+,214+,215+,216+,217+,218+,219+,220+,221+,222+,223+/m0/s1

InChIKey

YTCJHXLORUEQOD-RLWZTZAOSA-N

Compound name

[(1S,2R,4R,6S,8R)-2-[[(1S,2R,4S,6S,8R)-2-[[(2R,3aS,5S,6R,6aS)-6-[[(1S,2R,4S,6S,8R)-2-[[(2R,3aS,5S,6R,6aS)-6-[[(1S,2R,4S,6S,8R)-2-[[(1S,2R,4S,6S,8R)-2-[[(1S,2R,4S,6S,8R)-2-[[(1S,2R,4S,6S,8R)-8-(2-amino-6-oxo-1H-purin-9-yl)-2-[[(1S,2R,4S,6S,8R)-8-(2-amino-6-oxo-1H-purin-9-yl)-2-[[(1S,2R,4S,6S,8R)-2-[[(1S,2R,4S,6S,8R)-8-(4-amino-2-oxopyrimidin-1-yl)-2-[[(1S,2R,4S,6S,8R)-8-(4-amino-2-oxopyrimidin-1-yl)-2-[[(1S,2R,4S,6S,8R)-8-(4-amino-2-oxopyrimidin-1-yl)-2-[[(1S,2R,4S,6S,8R)-2-[[(1R,2R,4S,6S,8R)-8-(4-amino-2-oxopyrimidin-1-yl)-2-hydroxy-9-oxatricyclo[4.3.0.02,4]nonan-6-yl]oxy-hydroxyphosphoryl]oxy-8-(5-methyl-2,4-dioxopyrimidin-1-yl)-9-oxatricyclo[4.3.0.02,4]nonan-6-yl]oxy-hydroxyphosphoryl]oxy-9-oxatricyclo[4.3.0.02,4]nonan-6-yl]oxy-hydroxyphosphoryl]oxy-9-oxatricyclo[4.3.0.02,4]nonan-6-yl]oxy-hydroxyphosphoryl]oxy-9-oxatricyclo[4.3.0.02,4]nonan-6-yl]oxy-hydroxyphosphoryl]oxy-8-(6-aminopurin-9-yl)-9-oxatricyclo[4.3.0.02,4]nonan-6-yl]oxy-hydroxyphosphoryl]oxy-9-oxatricyclo[4.3.0.02,4]nonan-6-yl]oxy-hydroxyphosphoryl]oxy-9-oxatricyclo[4.3.0.02,4]nonan-6-yl]oxy-hydroxyphosphoryl]oxy-8-(4-amino-2-oxopyrimidin-1-yl)-9-oxatricyclo[4.3.0.02,4]nonan-6-yl]oxy-hydroxyphosphoryl]oxy-8-(5-methyl-2,4-dioxopyrimidin-1-yl)-9-oxatricyclo[4.3.0.02,4]nonan-6-yl]oxy-hydroxyphosphoryl]oxy-8-(4-amino-2-oxopyrimidin-1-yl)-9-oxatricyclo[4.3.0.02,4]nonan-6-yl]oxy-hydroxyphosphoryl]oxy-2-(6-aminopurin-9-yl)-5,6-dimethyl-3,4,5,6a-tetrahydro-2H-cyclopenta[b]furan-3a-yl]oxy-hydroxyphosphoryl]oxy-8-(2-amino-6-oxo-1H-purin-9-yl)-9-oxatricyclo[4.3.0.02,4]nonan-6-yl]oxy-hydroxyphosphoryl]oxy-2-(6-aminopurin-9-yl)-5,6-dimethyl-3,4,5,6a-tetrahydro-2H-cyclopenta[b]furan-3a-yl]oxy-hydroxyphosphoryl]oxy-8-(5-methyl-2,4-dioxopyrimidin-1-yl)-9-oxatricyclo[4.3.0.02,4]nonan-6-yl]oxy-hydroxyphosphoryl]oxy-8-(4-amino-2-oxopyrimidin-1-yl)-9-oxatricyclo[4.3.0.02,4]nonan-6-yl] 3',6'-dihydroxy-1-oxospiro[2-benzofuran-3,9'-xanthene]-5-carboxylate

Related CIDs

• CID 49768300