Chem
J-GLOBAL ID：201107062645034213   Nikkaji number：J2.920.564G

Cepharatine A

セファラチン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： C18H19NO4
Molecular formula furigana： C18-H19-N-O4
Molecular weight： 313.353
InChI： InChI=1S/C18H19NO4/c1-19-8-7-17-10-18(19,22)14(20)9-12(17)5-3-11-4-6-13(23-2)16(21)15(11)17/h3-6,9,21-22H,7-8,10H2,1-2H3/t17-,18+/m1/s1
InChI key： KDYWOWVAVXEYRU-MSOLQXFVSA-N
SMILES： COc1ccc2C=CC3=CC(=O)[C@@]4(O)C[C@@]3(CCN4C)c2c1O
Systematic name  (4)：
  • 3,4aα-[(メチルイミノ)エチレン]-2,3,4,4a-テトラヒドロ-3β,5-ジヒドロキシ-6-メトキシフェナントレン-2-オン
  • (3S)-3,5-ジヒドロキシ-6-メトキシ-13-メチル-3α,4aα-(エピミノエタノ)-2,3,4,4a-テトラヒドロフェナントレン-2-オン
  • (1R,13S)-3,13-ジヒドロキシ-4-メトキシ-14-メチル-14-アザテトラシクロ[11.3.1.01,10.02,7]ヘプタデカ-2,4,6,8,10-ペンタエン-12-オン
  • (1R,13S)-3,13-dihydroxy-4-methoxy-14-methyl-14-azatetracyclo[11.3.1.01,10.02,7]heptadeca-2,4,6,8,10-pentaen-12-one
Other name (6)：
  • 3,4aα-[(Methylimino)ethylene]-2,3,4,4a-tetrahydro-3β,5-dihydroxy-6-methoxyphenanthrene-2-one
  • Cepharatine A
  • セファラチンA
  • (3S)-3,5-Dihydroxy-6-methoxy-13-methyl-3α,4aα-(epiminoethano)-2,3,4,4a-tetrahydrophenanthrene-2-one
  • (ー)ーセファラチンA
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