Chem
J-GLOBAL ID：200907068545085619   Nikkaji number：J1.702.564C

Hibarimicin H

ヒバリミシンH
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： C75H98O33
Molecular formula furigana： C75-H98-O33
Molecular weight： 1527.576
InChI： InChI=1S/C75H98O33/c1-11-19-72(92)70(106-39-17-14-34(77)26(4)99-39)60(88)63(104-41-23-35(78)52(80)28(6)101-41)32-22-30-21-31-44(54(82)43(30)68(90)74(32,72)93)55(83)48(66(97-10)62(31)95-8)47-56(84)45-46(59(87)65(47)96-9)57(85)49-50(58(45)86)69(91)75(94)51-64(49)108-73(75,20-12-2)71(61(89)67(51)105-42-24-36(79)53(81)29(7)102-42)107-40-18-15-37(27(5)100-40)103-38-16-13-33(76)25(3)98-38/h21,25-29,32-42,51-53,60-61,63-64,67,70-71,76-83,85-86,88-89,92-94H,11-20,22-24H2,1-10H3/t25-,26+,27+,28-,29-,32-,33+,34-,35+,36+,37-,38+,39-,40-,41-,42-,51-,52-,53-,60-,61-,63+,64+,67+,70+,71+,72+,73+,74-,75-/m1/s1
InChI key： HTJVZFDAFDUEEM-GWYJOOGYSA-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@H](O)[C@@H](C)O4)[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](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-[4-O-(2,3,6-トリデオキシ-β-D-erythro-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]-9′-(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)-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-9-{[(2R,5R,6S)-5-ヒドロキシ-6-メチルオキサン-2-イル]オキシ}-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]-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-5-{[(2R,5R,6S)-5-{[(2S,5S,6R)-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}-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)-7-{[(2R,4S,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy}-1,8,10,10a,12-pentahydroxy-9-{[(2R,5R,6S)-5-hydroxy-6-methyloxan-2-yl]oxy}-3,4-dimethoxy-11-oxo-10-propyl-6,6a,7,8,9,10,10a,11-octahydrotetracen-2-yl]-7-{[(2R,4S,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy}-6,9,12,19-tetrahydroxy-5-{[(2R,5R,6S)-5-{[(2S,5S,6R)-5-hydroxy-6-methyloxan-2-yl]oxy}-6-methyloxan-2-yl]oxy}-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 (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′-Dodecahydro-1′,5,8,8′,10′,10a,10a′,12,12′-nonahydroxy-7,7′-bis(2,6-dideoxy-α-D-ribo-hexopyranosyloxy)-9-[4-O-(2,3,6-trideoxy-β-D-erythro-hexopyranosyl)-2,3,6-trideoxy-β-L-erythro-hexopyranosyloxy]-9′-(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
  • ヒバリミシンH
  • Hibarimicin H
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