Chem
J-GLOBAL ID:200907018254628073   Nikkaji number:J2.481.156E

3′-Azido-3′-deoxythymidine 5′-(carbonic acid 3β-cholesteryl) ester

3′-アジド-3′-デオキシチミジン5′-(炭酸3β-コレステリル)
Substance type:
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula: C38H57N3[N-][N+]O6
Molecular formula furigana: C38-H57-N5-O6
Molecular weight: 679.903
InChI: InChI=1S/C38H57N5O6/c1-22(2)8-7-9-23(3)28-12-13-29-27-11-10-25-18-26(14-16-37(25,5)30(27)15-17-38(28,29)6)48-36(46)47-21-32-31(41-42-39)19-33(49-32)43-20-24(4)34(44)40-35(43)45/h10,20,22-23,26-33H,7-9,11-19,21H2,1-6H3,(H,40,44,45)/t23-,26+,27+,28-,29+,30+,31+,32-,33-,37+,38-/m1/s1
InChI key: MIYHJQKRSGLTOC-ZLXYDZMASA-N
SMILES: CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(=O)OC[C@H]1O[C@H](C[C@@H]1N=[N+]=[N-])n1cc(C)c(=O)[nH]c1=O
Systematic name  (3):
  • 3′-アジド-3′-デオキシチミジン5′-(炭酸3β-コレステリル)
  • (1R,3aS,3bS,7S,9aR,9bS,11aR)-9a,11a-ジメチル-1-[(2R)-6-メチルヘプタン-2-イル]-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-シクロペンタ[a]フェナントレン-7-イル [(2S,3S,5R)-3-アジド-5-(5-メチル-2,4-ジオキソ-1,2,3,4-テトラヒドロピリミジン-1-イル)オキソラン-2-イル]メチル カルボナート
  • (1R,3aS,3bS,7S,9aR,9bS,11aR)-9a,11a-dimethyl-1-[(2R)-6-methylheptan-2-yl]-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-yl [(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)oxolan-2-yl]methyl carbonate
Other name (1):
  • 3′-Azido-3′-deoxythymidine 5′-(carbonic acid 3β-cholesteryl) ester
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