Chem
J-GLOBAL ID：200907039778088871   Nikkaji number：J2.172.852G

19,19′-Dideoxychetocin

11,11′-ジデオキシベルチシリン
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： C30H28N6O4S4
Molecular formula furigana： C30-H28-N6-O4-S4
Molecular weight： 664.830
InChI： InChI=1S/C30H28N6O4S4/c1-25-21(37)35-19-27(15-9-5-7-11-17(15)31-19,13-29(35,43-41-25)23(39)33(25)3)28-14-30-24(40)34(4)26(2,42-44-30)22(38)36(30)20(28)32-18-12-8-6-10-16(18)28/h5-12,19-20,31-32H,13-14H2,1-4H3/t19-,20-,25+,26+,27+,28+,29+,30+/m1/s1
InChI key： PVVLIIZIQXDFSP-PNVYSBBASA-N
SMILES： CN1C(=O)[C@@]23C[C@]4([C@H](Nc5ccccc45)N2C(=O)[C@]1(C)SS3)[C@]12C[C@]34SS[C@](C)(N(C)C3=O)C(=O)N4[C@H]1Nc1ccccc21
Systematic name  (5)：
  • 19,19′-ジデオキシケトシン
  • (2S,2′S)-19,19′-ジデオキシケトシン
  • (3S,3′S,5aR,5a′R,10bR,10b′R,11aS,11a′S)-2,2′,3,3′,5a,5a′,10b,10b′-オクタヒドロ-2,2′,3,3′-テトラメチル-11H,11′H-3,11a:3′,11a′-ジエピジチオ-10b,10b′-ビ(6H-ピラジノ[1′,2′:1,5]ピロロ[2,3-b]インドール)-1,1′,4,4′-テトラオン
  • (1S,3R,11R,14S)-3-[(1S,3R,11R,14S)-14,18-ジメチル-13,17-ジオキソ-15,16-ジチア-10,12,18-トリアザペンタシクロ[12.2.2.01,12.03,11.04,9]オクタデカ-4,6,8-トリエン-3-イル]-14,18-ジメチル-15,16-ジチア-10,12,18-トリアザペンタシクロ[12.2.2.01,12.03,11.04,9]オクタデカ-4,6,8-トリエン-13,17-ジオン
  • (1S,3R,11R,14S)-3-[(1S,3R,11R,14S)-14,18-dimethyl-13,17-dioxo-15,16-dithia-10,12,18-triazapentacyclo[12.2.2.01,12.03,11.04,9]octadeca-4,6,8-trien-3-yl]-14,18-dimethyl-15,16-dithia-10,12,18-triazapentacyclo[12.2.2.01,12.03,11.04,9]octadeca-4,6,8-triene-13,17-dione
Other name (9)：
  • 19,19′-Dideoxychetocin
  • 11,11′-ジデオキシベルチシリン
  • 11,11′-Dideoxyverticillin
  • (2S,2′S)-19,19′-Dideoxychetocin
  • (+)-11,11′-ジデオキシベルチシリンA
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