Chem
J-GLOBAL ID：200907000115173634   Nikkaji number：J2.720.522D

Versipelostatin C

ベルシペロスタチンC
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： C60H92O17
Molecular formula furigana： C60-H92-O17
Molecular weight： 1085.379
InChI： InChI=1S/C60H92O17/c1-13-38-20-37(27-61)18-30(5)52(74-46-23-43(65)54(35(10)72-46)76-47-24-44(66)53(36(11)73-47)75-45-22-42(64)51(67)34(9)71-45)28(3)16-15-17-58(12)25-31(6)32(7)26-60(58)56(69)48(57(70)77-60)55(68)59(14-2)49(38)29(4)19-39-41(63)21-40(62)33(8)50(39)59/h19-20,25,28,30,32-37,39,41-47,49-54,61,63-67,69H,13-18,21-24,26-27H2,1-12H3/b38-20+/t28-,30-,32-,33+,34-,35-,36-,37-,39-,41+,42+,43+,44+,45+,46+,47+,49+,50-,51-,52?,53-,54-,58-,59-,60-/m1/s1
InChI key： NFUAPYNDUQIKRR-KZVHVRCWSA-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](O)[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@H](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  (3)：
  • (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-[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-β-D-ribo-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-{[(2S,4S,5S,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-ヒドロキシ-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-{[(2S,4S,5S,6R)-5-{[(2S,4S,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy}-4-hydroxy-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 (3)：
  • (3S,19E,23R,26R,29S)-1,10,14β,16α,22,23,26-Heptamethyl-4aβ,20-diethyl-15β-[4-O-[4-O-(2,6-dideoxy-β-D-ribo-hexopyranosyl)-2,6-dideoxy-β-D-ribo-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C
  • Versipelostatin C
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