Chem
J-GLOBAL ID：200907020364023414   Nikkaji number：J61.574I

Verrucarin A

ベルカリン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： C27H34O9
Molecular formula furigana： C27-H34-O9
Molecular weight： 502.560
InChI： InChI=1S/C27H34O9/c1-16-8-10-26-14-33-24(31)23(30)17(2)9-11-32-21(28)6-4-5-7-22(29)36-18-13-20(35-19(26)12-16)27(15-34-27)25(18,26)3/h4-7,12,17-20,23,30H,8-11,13-15H2,1-3H3/b6-4-,7-5-/t17-,18-,19-,20-,23+,25-,26-,27-/m1/s1
InChI key： NLUGUZJQJYVUHS-JBHRPFRLSA-N
SMILES： C[C@@H]1CCOC(=O)/C=C\C=C/C(=O)O[C@@H]2C[C@H]3O[C@@H]4C=C(C)CC[C@]4(COC(=O)[C@H]1O)[C@]2(C)[C@]13CO1
Systematic name  (3)：
  • ベルカリンA
  • (1'R,2R,3'R,8'R,12'S,13'R,18'Z,20'Z,24'R,25'S)-12'-ヒドロキシ-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',18',20'-トリエン-11',17',22'-トリオン
  • (1'R,2R,3'R,8'R,12'S,13'R,18'Z,20'Z,24'R,25'S)-12'-hydroxy-5',13',25'-trimethyl-2',10',16',23'-tetraoxaspiro[oxirane-2,26'-tetracyclo[22.2.1.03,8.08,25]heptacosane]-4',18',20'-triene-11',17',22'-trione
Other name (4)：
  • ムコノマイシンA
  • Muconomycin A
  • VER A
  • Verrucarin A
CAS registry number： 3148-09-2
Regulation number (1)：
  • HW1316810
KEGG COMPOUND： C09746
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