Chem
J-GLOBAL ID：200907045524788695   Nikkaji number：J946.244I

Hibarimicin B

ヒバリミシン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： C85H112O37
Molecular formula furigana： C85-H112-O37
Molecular weight： 1725.794
InChI： InChI=1S/C85H112O37/c1-14-22-82(104)78(120-45-18-16-43(30(3)110-45)116-47-20-24-80(102,34(7)86)36(9)114-47)68(98)71(118-49-28-41(88)60(90)32(5)112-49)40-27-38-26-39-52(62(92)51(38)76(100)84(40,82)105)63(93)56(74(109-13)70(39)107-11)55-64(94)53-54(67(97)73(55)108-12)65(95)57-58(66(53)96)77(101)85(106)59-72(57)122-83(85,23-15-2)79(69(99)75(59)119-50-29-42(89)61(91)33(6)113-50)121-46-19-17-44(31(4)111-46)117-48-21-25-81(103,35(8)87)37(10)115-48/h26,30-33,36-37,40-50,59-61,68-69,71-72,75,78-79,88-93,95-96,98-99,102-106H,14-25,27-29H2,1-13H3/t30-,31-,32+,33+,36-,37-,40+,41-,42-,43+,44+,45+,46+,47-,48-,49+,50+,59+,60+,61+,68+,69+,71-,72-,75-,78-,79-,80+,81+,82-,83-,84+,85+/m0/s1
InChI key： XGHSXRXEPCUHTN-PEHHKXACSA-N
SMILES： CCC[C@]12O[C@@H]3[C@H]([C@H](O[C@@H]4C[C@H](O)[C@H](O)[C@@H](C)O4)[C@@H](O)[C@@H]1O[C@@H]1CC[C@@H](O[C@H]4CC[C@](O)([C@H](C)O4)C(=O)C)[C@H](C)O1)[C@@]2(O)C(=O)c1c(O)c2C(=O)C(=C(OC)C(=O)c2c(O)c31)c1c(O)c2c(O)c3C(=O)[C@]4(O)[C@H](Cc3cc2c(OC)c1OC)[C@H](O[C@@H]1C[C@H](O)[C@H](O)[C@@H](C)O1)[C@@H](O)[C@H](O[C@@H]1CC[C@@H](O[C@H]2CC[C@](O)([C@H](C)O2)C(=O)C)[C@H](C)O1)[C@@]4(O)CCC
Systematic name  (3)：
  • (6R,6aR,6a′R,7S,7′S,8R,8′R,9S,9′S,10S,10′S,10aS,10a′S)-6,6′,6a,6a′,7,7′,8,8′,9,9′,10,10′-ドデカヒドロ-1′,5,8,8′,10′,10a,10a′,12,12′-ノナヒドロキシ-7,7′-ビス(2,6-ジデオキシ-α-D-ribo-ヘキソピラノシルオキシ)-9,9′-ビス[4-O-(4-C-アセチル-2,3,6-トリデオキシ-α-L-threo-ヘキソピラノシル)-2,3,6-トリデオキシ-β-L-erythro-ヘキソピラノシルオキシ]-3,3′,4′-トリメトキシ-10,10′-ジプロピル-6,10-エポキシ-2,2′-ビナフタセン-1,4,11,11′(10aH,10a′H)-テトラオン
  • (2R,4S,5S,6R,7S,8R,9S)-15-[(6aR,7S,8R,9S,10S,10aS)-9-{[(2R,5R,6S)-5-{[(2R,5S,6S)-5-アセチル-5-ヒドロキシ-6-メチルオキサン-2-イル]オキシ}-6-メチルオキサン-2-イル]オキシ}-7-{[(2R,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}-1,8,10,10a,12-ペンタヒドロキシ-3,4-ジメトキシ-11-オキソ-10-プロピル-6,6a,7,8,9,10,10a,11-オクタヒドロテトラセン-2-イル]-5-{[(2R,5R,6S)-5-{[(2R,5S,6S)-5-アセチル-5-ヒドロキシ-6-メチルオキサン-2-イル]オキシ}-6-メチルオキサン-2-イル]オキシ}-7-{[(2R,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}-6,9,12,19-テトラヒドロキシ-16-メトキシ-4-プロピル-3-オキサペンタシクロ[9.8.0.02,8.04,9.013,18]ノナデカ-1(19),11,13(18),15-テトラエン-10,14,17-トリオン
  • (2R,4S,5S,6R,7S,8R,9S)-15-[(6aR,7S,8R,9S,10S,10aS)-9-{[(2R,5R,6S)-5-{[(2R,5S,6S)-5-acetyl-5-hydroxy-6-methyloxan-2-yl]oxy}-6-methyloxan-2-yl]oxy}-7-{[(2R,4S,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy}-1,8,10,10a,12-pentahydroxy-3,4-dimethoxy-11-oxo-10-propyl-6,6a,7,8,9,10,10a,11-octahydrotetracen-2-yl]-5-{[(2R,5R,6S)-5-{[(2R,5S,6S)-5-acetyl-5-hydroxy-6-methyloxan-2-yl]oxy}-6-methyloxan-2-yl]oxy}-7-{[(2R,4S,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy}-6,9,12,19-tetrahydroxy-16-methoxy-4-propyl-3-oxapentacyclo[9.8.0.02,8.04,9.013,18]nonadeca-1(19),11,13(18),15-tetraene-10,14,17-trione
Other name (8)：
  • ヒバリミシンB
  • Hibarimicin B
  • アンゲルミシンB
  • (6R,6aR,6a′R,7S,7′S,8R,8′R,9S,9′S,10S,10′S,10aS,10a′S)-6,6′,6a,6a′,7,7′,8,8′,9,9′,10,10′-Dodecahydro-1′,5,8,8′,10′,10a,10a′,12,12′-nonahydroxy-7,7′-bis(2,6-dideoxy-α-D-ribo-hexopyranosyloxy)-9,9′-bis[4-O-(4-C-acetyl-2,3,6-trideoxy-α-L-threo-hexopyranosyl)-2,3,6-trideoxy-β-L-erythro-hexopyranosyloxy]-3,3′,4′-trimethoxy-10,10′-dipropyl-6,10-epoxy-2,2′-binaphthacene-1,4,11,11′(10aH,10a′H)-tetrone
  • Angelmicin B
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CAS registry number： 151687-86-4
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