Chem
J-GLOBAL ID:200907050702232683   Nikkaji number:J91.989F

4-Epichelocardin

4-エピケロカルジン
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: C22H21NO7
Molecular formula furigana: C22-H21-N-O7
Molecular weight: 411.410
InChI: InChI=1S/C22H21NO7/c1-7-4-5-10-8(2)11-6-12-16(23)19(27)13(9(3)24)20(28)22(12,30)21(29)15(11)18(26)14(10)17(7)25/h4-5,12,16,25-27,30H,6,23H2,1-3H3/t12-,16-,22+/m0/s1
InChI key: IRCLZBUBOWPFCH-KFVPTDEHSA-N
SMILES: CC(=O)C1=C(O)[C@@H](N)[C@@H]2Cc3c(C)c4ccc(C)c(O)c4c(O)c3C(=O)[C@]2(O)C1=O
Systematic name  (3):
  • (4S,4aβ,12aβ)-2-アセチル-4-アミノ-4a,12a-ジヒドロ-3,10,11,12a-テトラヒドロキシ-6,9-ジメチル-1,12(4H,5H)-ナフタセンジオン
  • (4S,4aS,12aS)-2-アセチル-4-アミノ-3,10,11,12a-テトラヒドロキシ-6,9-ジメチル-1,4,4a,5,12,12a-ヘキサヒドロテトラセン-1,12-ジオン
  • (4S,4aS,12aS)-2-acetyl-4-amino-3,10,11,12a-tetrahydroxy-6,9-dimethyl-1,4,4a,5,12,12a-hexahydrotetracene-1,12-dione
Other name (5):
  • 4-エピケロカルジン
  • 4-epi-ケロカルジン
  • 4-epi-Chelocardin
  • 4-Epichelocardin
  • (4S,4aβ,12aβ)-2-Acetyl-4-amino-4a,12a-dihydro-3,10,11,12a-tetrahydroxy-6,9-dimethyl-1,12(4H,5H)-naphthacenedione
CAS registry number: 33484-05-8
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