Chem
J-GLOBAL ID：200907077162526920   Nikkaji number：J2.144.028K

Kigamicin A

キガマイシンA
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： C34H35NO13
Molecular formula furigana： C34-H35-N-O13
Molecular weight： 665.648
InChI： InChI=1S/C34H35NO13/c1-12-15(36)3-4-19(46-12)47-18-9-16(37)22-28(40)25-29(41)24-20-13(7-14-10-34(2)35(5-6-45-34)33(42)21(14)27(20)39)8-17-23(24)31(44-11-43-17)32(25)48-30(22)26(18)38/h7,12,15-19,26,36-39,41H,3-6,8-11H2,1-2H3/t12-,15+,16+,17-,18-,19+,26+,34-/m1/s1
InChI key： SERZVTAEVZZGKX-JVTMCZKYSA-N
SMILES： C[C@H]1O[C@H](CC[C@@H]1O)O[C@@H]1C[C@H](O)c2c(oc3c4OCO[C@@H]5Cc6cc7C[C@@]8(C)OCCN8C(=O)c7c(O)c6c(c(O)c3c2=O)c45)[C@H]1O
Systematic name  (3)：
  • 1,2,3a,4,6,7,10,11,12,13-デカヒドロ-11α-[(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-ヒドロキシ-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-hydroxy-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 (3)：
  • 1,2,3a,4,6,7,10,11,12,13-Decahydro-11α-[(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A
  • Kigamicin A
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