Chem
J-GLOBAL ID：200907001862565840   Nikkaji number：J292.691A

Divaricin B

ジバリシンB
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： C25H34O9
Molecular formula furigana： C25-H34-O9
Molecular weight： 478.538
InChI： InChI=1S/C25H34O9/c1-8-12(3)21(26)32-19-17-15(6)23(28)31-18(17)20(33-22(27)13(4)9-2)24(7,29)11-16-10-14(5)25(19,30)34-16/h8-9,14,16-20,29-30H,6,10-11H2,1-5,7H3/t14-,16+,17+,18+,19-,20-,24+,25-/m0/s1
InChI key： MZTSABVSBJJYCE-ICUBGTHFSA-N
SMILES： CC=C(C)C(=O)O[C@H]1[C@H]2[C@@H](OC(=O)C2=C)[C@H](OC(=O)C(=CC)C)[C@](C)(O)C[C@H]2C[C@H](C)[C@]1(O)O2
Systematic name  (3)：
  • (3aR,3aα,11aβ)-2,3,3a,4,5,6,7,8,9,10,11,11a-ドデカヒドロ-5β,8β-エポキシ-6β,10-ジメチル-3-メチレン-2-オキソシクロデカ[b]フラン-4α,5,10β,11β-テトラオール4,11-ビス(2-メチル-2-ブテノアート)
  • (1S,2S,3R,7R,8S,9R,11R,13S)-1,9-ジヒドロキシ-9,13-ジメチル-2-[(2-メチルブタ-2-エノイル)オキシ]-4-メチリデン-5-オキソ-6,14-ジオキサトリシクロ[9.2.1.03,7]テトラデカン-8-イル 2-メチルブタ-2-エノアート
  • (1S,2S,3R,7R,8S,9R,11R,13S)-1,9-dihydroxy-9,13-dimethyl-2-[(2-methylbut-2-enoyl)oxy]-4-methylidene-5-oxo-6,14-dioxatricyclo[9.2.1.03,7]tetradecan-8-yl 2-methylbut-2-enoate
Other name (3)：
  • Divaricin B
  • ジバリシンB
  • (3aR,3aα,11aβ)-2,3,3a,4,5,6,7,8,9,10,11,11a-Dodecahydro-5β,8β-epoxy-6β,10-dimethyl-3-methylene-2-oxocyclodeca[b]furan-4α,5,10β,11β-tetrol 4,11-bis(2-methyl-2-butenoate)
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