Chem
J-GLOBAL ID：200907058136710190   Nikkaji number：J1.379.457J

Lyngbyabellin B

リングビアベリンB
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： C28H40Cl2N4O7S2
Molecular formula furigana： C28-H40-CL2-N4-O7-S2
Molecular weight： 679.670
InChI： InChI=1S/C28H40Cl2N4O7S2/c1-14(2)19-22-33-16(13-42-22)24(37)40-17(9-8-10-28(7,29)30)26(3,4)25(38)41-20(27(5,6)39)23-32-15(12-43-23)21(36)31-11-18(35)34-19/h13-15,17,19-20,39H,8-12H2,1-7H3,(H,31,36)(H,34,35)/t15-,17?,19+,20-/m1/s1
InChI key： XZRCVAJXDSWDNB-DGJRPJRTSA-N
SMILES： CC(C)[C@@H]1NC(=O)CNC(=O)[C@H]2CSC(=N2)[C@@H](OC(=O)C(C)(C)C(CCCC(C)(Cl)Cl)OC(=O)c2csc1n2)C(C)(C)O
Systematic name  (3)：
  • (3S,9S,16S,20S)-9-イソプロピル-16-(4,4-ジクロロペンチル)-17,17-ジメチル-20-(1-ヒドロキシ-1-メチルエチル)-3,21:13,10-ジエピニトリロ-5,8-ジアザ-15,19-ジオキサ-1,11-ジチアシクロヘニコサ-12-エン-4,7,14,18-テトラオン
  • (1S,7S,14S,18S)-14-(4,4-ジクロロペンチル)-18-(2-ヒドロキシプロパン-2-イル)-15,15-ジメチル-7-(プロパン-2-イル)-13,17-ジオキサ-9,20-ジチア-3,6,22,23-テトラアザトリシクロ[17.2.1.18,11]トリコサ-8(23),10,19(22)-トリエン-2,5,12,16-テトラオン
  • (1S,7S,14S,18S)-14-(4,4-dichloropentyl)-18-(2-hydroxypropan-2-yl)-15,15-dimethyl-7-(propan-2-yl)-13,17-dioxa-9,20-dithia-3,6,22,23-tetraazatricyclo[17.2.1.18,11]tricosa-8(23),10,19(22)-triene-2,5,12,16-tetrone
Other name (4)：
  • (3S,9S,16S,20S)-9-Isopropyl-16-(4,4-dichloropentyl)-17,17-dimethyl-20-(1-hydroxy-1-methylethyl)-3,21:13,10-diepinitrilo-5,8-diaza-15,19-dioxa-1,11-dithiacyclohenicosa-12-ene-4,7,14,18-tetrone
  • リングビアベリンB
  • Lyngbyabellin B
  • リングビャベリンB
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