Chem
J-GLOBAL ID：200907086464729714   Nikkaji number：J493.600K

Cycloviracin B1

シクロビラシンB1
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： C83H152O33
Molecular formula furigana： C83-H152-O33
Molecular weight： 1678.096
InChI： InChI=1S/C83H152O33/c1-51(87)36-28-26-34-40-53(108-82-77(103-4)72(98)65(91)58(47-85)113-82)38-30-22-19-15-12-9-13-17-21-25-33-43-56-45-63(89)106-50-60-67(93)69(95)74(100)79(115-60)110-55(44-62(88)105-49-61-68(94)70(96)75(101)80(111-56)116-61)42-32-24-20-16-11-8-6-7-10-14-18-23-31-39-54(109-83-78(104-5)73(99)66(92)59(48-86)114-83)41-35-27-29-37-52(2)107-81-76(102-3)71(97)64(90)57(46-84)112-81/h51-61,64-87,90-101H,6-50H2,1-5H3/t51-,52-,53+,54+,55?,56?,57-,58-,59-,60-,61-,64-,65-,66-,67-,68-,69+,70+,71+,72+,73+,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-/m1/s1
InChI key： UHXMKKIXCMBBAY-BHULEHBJSA-N
SMILES： CO[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1O[C@H](C)CCCCC[C@H](CCCCCCCCCCCCCCCC1CC(=O)OC[C@H]2O[C@@H](OC(CCCCCCCCCCCCC[C@@H](CCCCC[C@@H](C)O)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3OC)CC(=O)OC[C@H]3O[C@@H](O1)[C@H](O)[C@@H](O)[C@@H]3O)[C@H](O)[C@@H](O)[C@@H]2O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1OC
Systematic name  (3)：
  • (1R,3R,8R,9S,10S,11R,12R,14R,19R,20S,21S,22R)-3-[(16S,22R)-16,22-ビス[(2-O-メチル-β-D-グルコピラノシル)オキシ]トリコシル]-9,10,11,20,21,22-ヘキサヒドロキシ-14-[(14S,20R)-20-ヒドロキシ-14-[(2-O-メチル-β-D-グルコピラノシル)オキシ]ヘンエイコサン-1-イル]-2,6,13,17,23,24-ヘキサオキサトリシクロ[17.3.1.18,12]テトラコサン-5,16-ジオン
  • (1R,3R,8R,9S,10S,11R,12R,14R,19R,20S,21S,22R)-3-[(16S,22R)-16,22-ビス({[(2R,3R,4S,5S,6R)-4,5-ジヒドロキシ-6-(ヒドロキシメチル)-3-メトキシオキサン-2-イル]オキシ})トリコシル]-14-[(14S,20R)-14-{[(2R,3R,4S,5S,6R)-4,5-ジヒドロキシ-6-(ヒドロキシメチル)-3-メトキシオキサン-2-イル]オキシ}-20-ヒドロキシヘンイコシル]-9,10,11,20,21,22-ヘキサヒドロキシ-2,6,13,17,23,24-ヘキサオキサトリシクロ[17.3.1.18,12]テトラコサン-5,16-ジオン
  • (1R,3R,8R,9S,10S,11R,12R,14R,19R,20S,21S,22R)-3-[(16S,22R)-16,22-bis({[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methoxyoxan-2-yl]oxy})tricosyl]-14-[(14S,20R)-14-{[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methoxyoxan-2-yl]oxy}-20-hydroxyhenicosyl]-9,10,11,20,21,22-hexahydroxy-2,6,13,17,23,24-hexaoxatricyclo[17.3.1.18,12]tetracosane-5,16-dione
Other name (7)：
  • シクロビラシンB1
  • Cycloviracin B1
  • (1R,3R,8R,9S,10S,11R,12R,14R,19R,20S,21S,22R)-3-[(16S,22R)-16,22-Bis[(2-O-methyl-β-D-glucopyranosyl)oxy]tricosyl]-9,10,11,20,21,22-hexahydroxy-14-[(14S,20R)-20-hydroxy-14-[(2-O-methyl-β-D-glucopyranosyl)oxy]heneicosane-1-yl]-2,6,13,17,23,24-hexaoxatricyclo[17.3.1.18,12]tetracosane-5,16-dione
  • BU-4224V-B1
  • シクロビラシンB1
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CAS registry number： 142382-45-4
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