Chem
J-GLOBAL ID：200907057935983829   Nikkaji number：J2.355.173J

(9S,13S)-13β-[(R)-1-Hydroxyethyl]-1,2-propano-5-oxo-6,10β-dihydroxy-7α-methyl-9,10-dihydro-5H,7H-1-aza-8-oxaaceanthrylene-9β-acetic acid 9,10-lactone

(9S,13S)-13β-[(R)-1-ヒドロキシエチル]-1,2-プロパノ-5-オキソ-6,10β-ジヒドロキシ-7α-メチル-9,10-ジヒドロ-5H,7H-1-アザ-8-オキサアセアントリレン-9β-酢酸9,10-ラクトン
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： C22H21NO6
Molecular formula furigana： C22-H21-N-O6
Molecular weight： 395.411
InChI： InChI=1S/C22H21NO6/c1-8(24)11-4-5-12-10-3-6-13(25)18-17(10)20(23(11)12)19-16(21(18)27)9(2)28-14-7-15(26)29-22(14)19/h3,6,8-9,11,14,22,24,27H,4-5,7H2,1-2H3/t8-,9+,11+,14+,22-/m1/s1
InChI key： GROPDRMIDADBEP-UUFHDADJSA-N
SMILES： C[C@@H](O)[C@@H]1CCc2c3ccc(=O)c4c(O)c5[C@H](C)O[C@H]6CC(=O)O[C@H]6c5c(n12)c34
Systematic name  (3)：
  • (9S,13S)-13β-[(R)-1-ヒドロキシエチル]-1,2-プロパノ-5-オキソ-6,10β-ジヒドロキシ-7α-メチル-9,10-ジヒドロ-5H,7H-1-アザ-8-オキサアセアントリレン-9β-酢酸9,10-ラクトン
  • (3S,7S,9S,20S)-11-ヒドロキシ-20-[(1R)-1-ヒドロキシエチル]-9-メチル-4,8-ジオキサ-21-アザヘキサシクロ[10.9.1.02,10.03,7.016,22.017,21]ドコサ-1,10,12(22),14,16-ペンタエン-5,13-ジオン
  • (3S,7S,9S,20S)-11-hydroxy-20-[(1R)-1-hydroxyethyl]-9-methyl-4,8-dioxa-21-azahexacyclo[10.9.1.02,10.03,7.016,22.017,21]docosa-1,10,12(22),14,16-pentaene-5,13-dione
Other name (1)：
  • (9S,13S)-13β-[(R)-1-Hydroxyethyl]-1,2-propano-5-oxo-6,10β-dihydroxy-7α-methyl-9,10-dihydro-5H,7H-1-aza-8-oxaaceanthrylene-9β-acetic acid 9,10-lactone
Thsaurus map：
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