Chem
J-GLOBAL ID：200907024813956760   Nikkaji number：J1.791.041H

Antitumor JL 68

アンチツモールJL68
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： C61H94O17
Molecular formula furigana： C61-H94-O17
Molecular weight： 1099.406
InChI： InChI=1S/C61H94O17/c1-14-39-21-38(28-62)19-31(5)53(75-47-24-44(66)54(36(10)73-47)76-48-25-45(71-13)55(37(11)74-48)77-46-23-43(65)52(67)35(9)72-46)29(3)17-16-18-59(12)26-32(6)33(7)27-61(59)57(69)49(58(70)78-61)56(68)60(15-2)50(39)30(4)20-40-42(64)22-41(63)34(8)51(40)60/h20-21,26,29,31,33-38,40,42-48,50-55,62,64-67,69H,14-19,22-25,27-28H2,1-13H3/b39-21+/t29?,31-,33-,34+,35-,36-,37-,38-,40-,42+,43+,44+,45-,46+,47+,48-,50+,51-,52-,53?,54-,55-,59-,60-,61-/m1/s1
InChI key： GYHNNYHTWLMRSY-FTUGPNQESA-N
SMILES： CC/C/1=C\[C@H](CO)C[C@@H](C)C(O[C@H]2C[C@H](O)[C@H](O[C@@H]3C[C@@H](OC)[C@H](O[C@H]4C[C@H](O)[C@H](O)[C@@H](C)O4)[C@@H](C)O3)[C@@H](C)O2)C(C)CCC[C@]2(C)C=C(C)[C@H](C)C[C@@]32OC(=O)C(=C3O)C(=O)[C@@]2(CC)[C@@H]3[C@@H](C)C(=O)C[C@H](O)[C@H]3C=C(C)[C@@H]12
Systematic name  (4)：
  • (3S,19E,23R,26R,29S)-1,10,14β,16α,22,23,26-ヘプタメチル-4aβ,20-ジエチル-15β-[4-O-[3-O-メチル-4-O-(2,6-ジデオキシ-β-D-ribo-ヘキソピラノシル)-2,6-ジデオキシ-α-D-arabino-ヘキソピラノシル]-2,6-ジデオキシ-β-D-ribo-ヘキソピラノシルオキシ]-18β-(ヒドロキシメチル)-25,29-ジヒドロキシ-3α,4β-ブタノ-9α,6-メテノ-10β,9-[1]ブテノ-3,4,4a,5,6,7,10,11,12,13,14,15,16,17,18,20aβ-ヘキサデカヒドロ-9H-8-オキサベンゾシクロオクタデセン-5,7,27-トリオン
  • (3S,4S,4aS,9S,10R,14R,15R,16R,18R,19E,20aS,23R,26R,29S)-1,10,14β,16α,22,23,26-ヘプタメチル-4aβ,20-ジエチル-15β-[4-O-[3-O-メチル-4-O-(2,6-ジデオキシ-β-D-ribo-ヘキソピラノシル)-2,6-ジデオキシ-α-D-arabino-ヘキソピラノシル]-2,6-ジデオキシ-β-D-ribo-ヘキソピラノシルオキシ]-18β-(ヒドロキシメチル)-25,29-ジヒドロキシ-3α,4β-ブタノ-9α,6-メテノ-10β,9-[1]ブテノ-3,4,4a,5,6,7,10,11,12,13,14,15,16,17,18,20aβ-ヘキサデカヒドロ-9H-8-オキサベンゾシクロオクタデセン-5,7,27-トリオン
  • (1S,3R,6R,10R,11R,12R,14R,15E,17S,20S,21S,24R,25S,26S)-11-{[(2R,4S,5S,6R)-5-{[(2R,4R,5R,6R)-5-{[(2S,4S,5S,6R)-4,5-ジヒドロキシ-6-メチルオキサン-2-イル]オキシ}-4-メトキシ-6-メチルオキサン-2-イル]オキシ}-4-ヒドロキシ-6-メチルオキサン-2-イル]オキシ}-16,26-ジエチル-21,31-ジヒドロキシ-14-(ヒドロキシメチル)-3,4,6,10,12,18,24-ヘプタメチル-30-オキサペンタシクロ[26.2.1.01,6.017,26.020,25]ヘントリアコンタ-4,15,18,28(31)-テトラエン-23,27,29-トリオン
  • (1S,3R,6R,10R,11R,12R,14R,15E,17S,20S,21S,24R,25S,26S)-11-{[(2R,4S,5S,6R)-5-{[(2R,4R,5R,6R)-5-{[(2S,4S,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy}-4-methoxy-6-methyloxan-2-yl]oxy}-4-hydroxy-6-methyloxan-2-yl]oxy}-16,26-diethyl-21,31-dihydroxy-14-(hydroxymethyl)-3,4,6,10,12,18,24-heptamethyl-30-oxapentacyclo[26.2.1.01,6.017,26.020,25]hentriaconta-4,15,18,28(31)-tetraene-23,27,29-trione
Other name (6)：
  • (3S,19E,23R,26R,29S)-1,10,14β,16α,22,23,26-Heptamethyl-4aβ,20-diethyl-15β-[4-O-[3-O-methyl-4-O-(2,6-dideoxy-β-D-ribo-hexopyranosyl)-2,6-dideoxy-α-D-arabino-hexopyranosyl]-2,6-dideoxy-β-D-ribo-hexopyranosyloxy]-18β-(hydroxymethyl)-25,29-dihydroxy-3α,4β-butano-9α,6-metheno-10β,9-[1]buteno-3,4,4a,5,6,7,10,11,12,13,14,15,16,17,18,20aβ-hexadecahydro-9H-8-oxabenzocyclooctadecene-5,7,27-trione
  • ベルシペロスタチン
  • Versipelostatin
  • アンチツモールJL68
  • Antitumor JL 68
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CAS registry number： 477201-98-2
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