Chem
J-GLOBAL ID：200907010727791065   Nikkaji number：J1.252.054I

Verrucarin J

ベルカリン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： C27H32O8
Molecular formula furigana： C27-H32-O8
Molecular weight： 484.545
InChI： InChI=1S/C27H32O8/c1-17-8-10-26-15-32-24(30)13-18(2)9-11-31-22(28)6-4-5-7-23(29)35-19-14-21(34-20(26)12-17)27(16-33-27)25(19,26)3/h4-7,12-13,19-21H,8-11,14-16H2,1-3H3/b6-4-,7-5-,18-13-/t19-,20-,21-,25-,26-,27-/m1/s1
InChI key： GXCGYHWSYNQVHU-NQURUZHLSA-N
SMILES： CC1=C[C@H]2O[C@@H]3C[C@H]4OC(=O)/C=C\C=C/C(=O)OCC/C(=C\C(=O)OC[C@@]2(CC1)[C@]4(C)[C@]13CO1)/C
Systematic name  (3)：
  • (2′E)-2′-デオキシ-2′,3′-ジデヒドロベルカリンA
  • (1'R,2R,3'R,8'R,12'Z,18'Z,20'Z,24'R,25'S)-5',13',25'-トリメチル-2',10',16',23'-テトラオキサスピロ[オキシラン-2,26'-テトラシクロ[22.2.1.03,8.08,25]ヘプタコサン]-4',12',18',20'-テトラエン-11',17',22'-トリオン
  • (1'R,2R,3'R,8'R,12'Z,18'Z,20'Z,24'R,25'S)-5',13',25'-trimethyl-2',10',16',23'-tetraoxaspiro[oxirane-2,26'-tetracyclo[22.2.1.03,8.08,25]heptacosane]-4',12',18',20'-tetraene-11',17',22'-trione
Other name (5)：
  • (2′E)-2′-Deoxy-2′,3′-didehydroverrucarin A
  • ベルカリンJ
  • Verrucarin J
  • ムコノマイシンB
  • Muconomycin B
CAS registry number： 4643-58-7
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