Chem
J-GLOBAL ID：200907070623268550   Nikkaji number：J2.772.993B

Doronine

ドロニン
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： C21H30ClNO8
Molecular formula furigana： C21-H30-CL-N-O8
Molecular weight： 459.920
InChI： InChI=1S/C21H30ClNO8/c1-12-10-21(28,13(2)22)19(27)30-16-7-9-23(5)8-6-15(17(16)25)11-29-18(26)20(12,4)31-14(3)24/h6,12-13,16,28H,7-11H2,1-5H3/t12-,13-,16-,20-,21-/m1/s1
InChI key： VGRSISYREBBIAL-XWYRRVJTSA-N
SMILES： C[C@@H](Cl)[C@]1(O)C[C@@H](C)[C@@](C)(OC(=O)C)C(=O)OCC2=CCN(C)CC[C@@H](OC1=O)C2=O
Systematic name  (3)：
  • (12R,15S,20R)-12-アセトキシ-20-クロロ-15,20-ジヒドロ-15-ヒドロキシ-4-メチル-4,8-セコセネシオナン-8,11,16-トリオン
  • (1R,4S,6R,7R)-4-[(1R)-1-クロロエチル]-4-ヒドロキシ-6,7,14-トリメチル-3,8,17-トリオキソ-2,9-ジオキサ-14-アザビシクロ[9.5.1]ヘプタデカ-11-エン-7-イル アセタート
  • (1R,4S,6R,7R)-4-[(1R)-1-chloroethyl]-4-hydroxy-6,7,14-trimethyl-3,8,17-trioxo-2,9-dioxa-14-azabicyclo[9.5.1]heptadec-11-en-7-yl acetate
Other name (3)：
  • (12R,15S,20R)-12-Acetoxy-20-chloro-15,20-dihydro-15-hydroxy-4-methyl-4,8-secosenecionan-8,11,16-trione
  • Doronine
  • ドロニン
CAS registry number： 60367-00-2
KEGG COMPOUND： C10286
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