Chem
J-GLOBAL ID：200907022164265858   Nikkaji number：J1.974.193A

Vibsanin B

ビブサニン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： C25H36O5
Molecular formula furigana： C25-H36-O5
Molecular weight： 416.558
InChI： InChI=1S/C25H36O5/c1-18(2)8-7-12-24(5)13-9-20(17-26)21(27)10-15-25(6,29)22(11-14-24)30-23(28)16-19(3)4/h8-11,14-16,22,26,29H,7,12-13,17H2,1-6H3/b14-11+,15-10+,20-9-/t22-,24-,25-/m1/s1
InChI key： GYXPHGPELZUVGI-FFYCJCOQSA-N
SMILES： CC(=CCC[C@]1(C)C/C=C(/CO)\C(=O)/C=C/[C@@](C)(O)[C@H](OC(=O)C=C(C)C)/C=C/1)C
Systematic name  (3)：
  • 3-メチル-2-ブテン酸[(1R,2R,3E,6Z,9R,10E)-2-ヒドロキシ-6-ヒドロキシメチル-2,9-ジメチル-9-(4-メチル-3-ペンテニル)-5-オキソ-3,6,10-シクロウンデカトリエン-1-イル]
  • (1R,2E,4R,6Z,9E,11R)-11-ヒドロキシ-7-(ヒドロキシメチル)-4,11-ジメチル-4-(4-メチルペンタ-3-エン-1-イル)-8-オキソシクロウンデカ-2,6,9-トリエン-1-イル 3-メチルブタ-2-エノアート
  • (1R,2E,4R,6Z,9E,11R)-11-hydroxy-7-(hydroxymethyl)-4,11-dimethyl-4-(4-methylpent-3-en-1-yl)-8-oxocycloundeca-2,6,9-trien-1-yl 3-methylbut-2-enoate
Other name (3)：
  • 3-Methyl-2-butenoic acid [(1R,2R,3E,6Z,9R,10E)-2-hydroxy-6-hydroxymethyl-2,9-dimethyl-9-(4-methyl-3-pentenyl)-5-oxo-3,6,10-cycloundecatriene-1-yl] ester
  • ビブサニンB
  • Vibsanin B
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