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ACTINOMYCIN D, [3H]-
CAS 6412-01-7 MFCD01311142
化学结构图
SMILES: [3H]c1c([3H])c(C([3H])([3H])[3H])c2oc3c(C([3H])([3H])[3H])c(=O)c(N([3H])[3H])c(C(=O)N([3H])[C@]4([3H])C(=O)N([3H])[C@]([3H])(C([3H])(C([3H])([3H])[3H])C([3H])([3H])[3H])C(=O)N5C([3H])([3H])C([3H])([3H])C([3H])([3H])[C@]5([3H])C(=O)N(C([3H])([3H])[3H])C([3H])([3H])C(=O)N(C([3H])([3H])[3H])[C@@]([3H])(C([3H])(C([3H])([3H])[3H])C([3H])([3H])[3H])C(=O)O[C@]4([3H])C([3H])([3H])[3H])c-3nc2c1C(=O)N([3H])[C@]1([3H])C(=O)N([3H])[C@]([3H])(C([3H])(C([3H])([3H])[3H])C([3H])([3H])[3H])C(=O)N2C([3H])([3H])C([3H])([3H])C([3H])([3H])[C@]2([3H])C(=O)N(C([3H])([3H])[3H])C([3H])([3H])C(=O)N(C([3H])([3H])[3H])[C@@]([3H])(C([3H])(C([3H])([3H])[3H])C([3H])([3H])[3H])C(=O)O[C@]1([3H])C([3H])([3H])[3H]
化学属性
Mol. Formula
C62N12O16T86
Mol. Weight
1255.42
别名和识别编码
Chemical Name
ACTINOMYCIN D, [3H]-
MDL Number
MFCD01311142
PubChem Substance ID
90475256
InChI
InChI=1S/C62H86N12O16/c1-27(2)42-59(84)73-23-17-19-36(73)57(82)69(13)25-38(75)71(15)48(29(5)6)61(86)88-33(11)44(55(80)65-42)67-53(78)35-22-21-31(9)51-46(35)64-47-40(41(63)50(77)32(10)52(47)90-51)54(79)68-45-34(12)89-62(87)49(30(7)8)72(16)39(76)26-70(14)58(83)37-20-18-24-74(37)60(85)43(28(3)4)66-56(45)81/h21-22,27-30,33-34,36-37,42-45,48-49H,17-20,23-26,63H2,1-16H3,(H,65,80)(H,66,81)(H,67,78)(H,68,79)/t33-,34-,36-,37-,42-,43-,44+,45+,48+,49+/m1/s1/i1T3,2T3,3T3,4T3,5T3,6T3,7T3,8T3,9T3,10T3,11T3,12T3,13T3,14T3,15T3,16T3,17T2,18T2,19T2,20T2,21T,22T,23T2,24T2,25T2,26T2,27T,28T,29T,30T,33T,34T,36T,37T,42T,43T,44T,45T,48T,49T/hT6
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