Chem
J-GLOBAL ID：200907052331660680   Nikkaji number：J2.144.029I

Kigamicin C

キガミシン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： C41H47NO16
Molecular formula furigana： C41-H47-N-O16
Molecular weight： 809.818
InChI： InChI=1S/C41H47NO16/c1-15-20(56-25-12-22(50-4)32(44)16(2)55-25)5-6-24(54-15)57-23-11-19(43)28-35(47)31-36(48)30-26-17(9-18-13-41(3)42(7-8-53-41)40(49)27(18)34(26)46)10-21-29(30)38(52-14-51-21)39(31)58-37(28)33(23)45/h9,15-16,19-25,32-33,43-46,48H,5-8,10-14H2,1-4H3/t15-,16-,19+,20+,21-,22-,23-,24+,25+,32-,33+,41-/m1/s1
InChI key： JXSADZFORZMJRI-KUPVXKSBSA-N
SMILES： CO[C@@H]1C[C@H](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  (4)：
  • 1,2,3a,4,6,7,10,11,12,13-デカヒドロ-11α-[[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)-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
  • (3aR,7R,10S,11R,13S)-1,2,3a,4,6,7,10,11,12,13-デカヒドロ-11-[[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)-2,3,6-トリデオキシ-β-D-erythro-ヘキソピラノシル]オキシ]-10,13,15,16-テトラヒドロキシ-3a-メチル-7,8-(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-ヒドロキシ-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-hydroxy-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 (5)：
  • 1,2,3a,4,6,7,10,11,12,13-Decahydro-11α-[[4-O-(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C
  • Kigamicin C
  • (3aR,7R,10S,11R,13S)-1,2,3a,4,6,7,10,11,12,13-Decahydro-11-[[4-O-(3-O-methyl-2,6-dideoxy-β-D-arabino-hexopyranosyl)-2,3,6-trideoxy-β-D-erythro-hexopyranosyl]oxy]-10,13,15,16-tetrahydroxy-3a-methyl-7,8-(methylenedioxy)-17a-aza-3,9-dioxa-17aH-cyclopenta[b]hexaphene-14,17-dione
  • キガミシンC
CAS registry number： 680571-51-1
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