Chem
J-GLOBAL ID：200907051678110705   Nikkaji number：J92.006A

Chloropolysporin B

クロロポリスポリン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： C83H89Cl3N8O34
Molecular formula furigana： C83-H89-CL3-N8-O34
Molecular weight： 1849.000
InChI： InChI=1S/C83H89Cl3N8O34/c1-27-61(101)42(87)24-52(119-27)126-71-32-8-14-46(40(85)18-32)122-48-20-34-21-49(73(48)128-83-70(110)67(107)64(104)51(26-96)125-83)123-47-15-9-33(19-41(47)86)72(127-82-69(109)66(106)63(103)50(25-95)124-82)60(93-74(111)54(88-3)29-4-10-36(11-5-29)121-81-68(108)65(105)62(102)28(2)120-81)78(115)90-56(31-7-13-44(99)39(84)17-31)75(112)91-57(34)77(114)89-55-30-6-12-43(98)37(16-30)53-38(22-35(97)23-45(53)100)58(80(117)118)92-79(116)59(71)94-76(55)113/h4-23,27-28,42,50-52,54-72,81-83,88,95-110H,24-26,87H2,1-3H3,(H,89,114)(H,90,115)(H,91,112)(H,92,116)(H,93,111)(H,94,113)(H,117,118)/t27-,28-,42+,50+,51+,52-,54+,55+,56-,57+,58?,59-,60+,61-,62-,63+,64+,65+,66-,67-,68+,69-,70+,71+,72+,81-,82+,83-/m0/s1
InChI key： PCGBWZQZOMMXGB-KPKRHVRKSA-N
SMILES： CN[C@@H](C(=O)N[C@@H]1[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)c2ccc(Oc3cc4cc(Oc5ccc(cc5Cl)[C@@H](O[C@H]5C[C@@H](N)[C@@H](O)[C@H](C)O5)[C@@H]5NC(=O)[C@H](NC(=O)[C@@H]4NC(=O)[C@@H](NC1=O)c1ccc(O)c(Cl)c1)c1ccc(O)c(c1)c1c(O)cc(O)cc1[C@H](NC5=O)C(=O)O)c3O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c(Cl)c2)c1ccc(O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)cc1
Systematic name  (3)：
  • 10,49-ジクロロ-2′′′-O-デ(3-アミノ-2,3,6-トリデオキシ-α-L-ribo-ヘキソピラノシル)アボパルシンα
  • (1S,2R,18R,19R,22S,25R,28R,40S)-2-{[(2R,4R,5R,6S)-4-アミノ-5-ヒドロキシ-6-メチルオキサン-2-イル]オキシ}-47,49-ジクロロ-22-(3-クロロ-4-ヒドロキシフェニル)-32,35,37-トリヒドロキシ-19-[(2R)-2-(メチルアミノ)-2-(4-{[(2S,3R,4R,5R,6S)-3,4,5-トリヒドロキシ-6-メチルオキサン-2-イル]オキシ}フェニル)アセトアミド]-20,23,26,42,44-ペンタオキソ-48-{[(2S,3R,4S,5S,6R)-3,4,5-トリヒドロキシ-6-(ヒドロキシメチル)オキサン-2-イル]オキシ}-18-{[(2S,3S,4S,5S,6R)-3,4,5-トリヒドロキシ-6-(ヒドロキシメチル)オキサン-2-イル]オキシ}-7,13-ジオキサ-21,24,27,41,43-ペンタアザオクタシクロ[26.14.2.23,6.214,17.18,12.129,33.010,25.034,39]ペンタコンタ-3,5,8(48),9,11,14,16,29,31,33(45),34,36,38,46,49-ペンタデカエン-40-カルボン酸
  • (1S,2R,18R,19R,22S,25R,28R,40S)-2-{[(2R,4R,5R,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy}-47,49-dichloro-22-(3-chloro-4-hydroxyphenyl)-32,35,37-trihydroxy-19-[(2R)-2-(methylamino)-2-(4-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}phenyl)acetamido]-20,23,26,42,44-pentaoxo-48-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-18-{[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-7,13-dioxa-21,24,27,41,43-pentaazaoctacyclo[26.14.2.23,6.214,17.18,12.129,33.010,25.034,39]pentaconta-3,5,8(48),9,11,14,16,29,31,33(45),34,36,38,46,49-pentadecaene-40-carboxylic acid
Other name (3)：
  • クロロポリスポリンB
  • Chloropolysporin B
  • 10,49-Dichloro-2′′′-O-de(3-amino-2,3,6-trideoxy-α-L-ribo-hexopyranosyl)avoparcin α
CAS registry number： 105650-11-1
Application (1)：
antibiotics
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