Chem
J-GLOBAL ID：200907056322991806   Nikkaji number：J2.366.145D

Kigamicin D

キガマイシンD
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： C48H59NO19
Molecular formula furigana： C48-H59-N-O19
Molecular weight： 953.988
InChI： InChI=1S/C48H59NO19/c1-18-24(65-30-15-28(58-6)43(20(3)64-30)67-31-14-26(57-5)38(51)19(2)63-31)7-8-29(62-18)66-27-13-23(50)34-41(54)37-42(55)36-32-21(11-22-16-48(4)49(9-10-61-48)47(56)33(22)40(32)53)12-25-35(36)45(60-17-59-25)46(37)68-44(34)39(27)52/h11,18-20,23-31,38-39,43,50-53,55H,7-10,12-17H2,1-6H3/t18-,19-,20-,23+,24+,25-,26-,27-,28-,29+,30+,31+,38-,39+,43-,48-/m1/s1
InChI key： OZWBBSBTBYGVTM-MKQODZMMSA-N
SMILES： CO[C@@H]1C[C@H](O[C@@H]2[C@@H](C)O[C@H](C[C@H]2OC)O[C@H]2CC[C@H](O[C@@H]3C[C@H](O)c4c(oc5c6OCO[C@@H]7Cc8cc9C[C@@]%10(C)OCCN%10C(=O)c9c(O)c8c(c(O)c5c4=O)c67)[C@H]3O)O[C@@H]2C)O[C@H](C)[C@H]1O
Systematic name  (3)：
  • 1,2,3a,4,6,7,10,11,12,13-デカヒドロ-11α-[[4-O-[4-O-(3-O-メチル-2,6-ジデオキシ-β-D-arabino-ヘキソピラノシル)-3-O-メチル-2,6-ジデオキシ-β-D-arabino-ヘキソピラノシル]-2,3,6-トリデオキシ-β-D-erythro-ヘキソピラノシル]オキシ]-10β,13α,15,16-テトラヒドロキシ-3aβ-メチル-7β,8-(メチレンジオキシ)-17a-アザ-3,9-ジオキサ-17aH-シクロペンタ[b]ヘキサフェン-14,17-ジオン
  • (6S,8R,9S,17R,23R)-2,6,9,30-テトラヒドロキシ-8-{[(2S,5S,6R)-5-{[(2S,4R,5R,6R)-5-{[(2S,4R,5R,6R)-5-ヒドロキシ-4-メトキシ-6-メチルオキサン-2-イル]オキシ}-4-メトキシ-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}-23-メチル-11,14,16,24-テトラオキサ-27-アザオクタシクロ[15.14.1.03,12.05,10.013,32.019,31.021,29.023,27]ドトリアコンタ-1(32),2,5(10),12,19,21(29),30-ヘプタエン-4,28-ジオン
  • (6S,8R,9S,17R,23R)-2,6,9,30-tetrahydroxy-8-{[(2S,5S,6R)-5-{[(2S,4R,5R,6R)-5-{[(2S,4R,5R,6R)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy}-4-methoxy-6-methyloxan-2-yl]oxy}-6-methyloxan-2-yl]oxy}-23-methyl-11,14,16,24-tetraoxa-27-azaoctacyclo[15.14.1.03,12.05,10.013,32.019,31.021,29.023,27]dotriaconta-1(32),2,5(10),12,19,21(29),30-heptaene-4,28-dione
Other name (4)：
  • 1,2,3a,4,6,7,10,11,12,13-Decahydro-11α-[[4-O-[4-O-(3-O-methyl-2,6-dideoxy-β-D-arabino-hexopyranosyl)-3-O-methyl-2,6-dideoxy-β-D-arabino-hexopyranosyl]-2,3,6-trideoxy-β-D-erythro-hexopyranosyl]oxy]-10β,13α,15,16-tetrahydroxy-3aβ-methyl-7β,8-(methylenedioxy)-17a-aza-3,9-dioxa-17aH-cyclopenta[b]hexaphene-14,17-dione
  • キガマイシンD
  • Kigamicin D
  • キガミシンD
CAS registry number： 680571-52-2
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