Chem
J-GLOBAL ID:200907048363437780   Nikkaji number:J282.837E

Sirodesmin J

シロデスミンJ
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: C20H26N2O8S3
Molecular formula furigana: C20-H26-N2-O8-S3
Molecular weight: 518.610
InChI: InChI=1S/C20H26N2O8S3/c1-9-16(3,4)12(25)18(30-9)6-11-17(28,13(18)29-10(2)24)7-19-14(26)21(5)20(8-23,32-33-31-19)15(27)22(11)19/h9,11,13,23,28H,6-8H2,1-5H3/t9?,11-,13+,17+,18-,19-,20-/m1/s1
InChI key: YORDWFCXQCUPHI-BJSGGHKQSA-N
SMILES: CC1O[C@]2(C[C@H]3N4C(=O)[C@@]5(CO)SSS[C@]4(C[C@@]3(O)[C@@H]2OC(=O)C)C(=O)N5C)C(=O)C1(C)C
Systematic name  (3):
  • (7S)-シロデスミンC
  • (1'R,2S,3'S,4'S,7'R,10'R)-3'-ヒドロキシ-10'-(ヒドロキシメチル)-4,4,5,15'-テトラメチル-3,9',14'-トリオキソ-11',12',13'-トリチア-8',15'-ジアザスピロ[オキソラン-2,5'-テトラシクロ[8.3.2.01,8.03,7]ペンタデカン]-4'-イル アセタート
  • (1'R,2S,3'S,4'S,7'R,10'R)-3'-hydroxy-10'-(hydroxymethyl)-4,4,5,15'-tetramethyl-3,9',14'-trioxo-11',12',13'-trithia-8',15'-diazaspiro[oxolane-2,5'-tetracyclo[8.3.2.01,8.03,7]pentadecan]-4'-yl acetate
Other name (3):
  • Sirodesmin J
  • シロデスミンJ
  • (7S)-Sirodesmin C
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