Chem
J-GLOBAL ID：201307064953104548   Nikkaji number：J3.187.516A

Vibsanin A

ビブサニン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： C25H38O4
Molecular formula furigana： C25-H38-O4
Molecular weight： 402.575
InChI： InChI=1S/C25H38O4/c1-18(2)8-7-13-24(5)14-11-20(17-26)9-10-22-25(6,29-22)21(12-15-24)28-23(27)16-19(3)4/h8,11-12,15-16,21-22,26H,7,9-10,13-14,17H2,1-6H3/b15-12+,20-11+/t21-,22-,24+,25+/m1/s1
InChI key： FUGMARDYCOVINL-UXJPQKNOSA-N
SMILES： CC(=CCC[C@@]1(C)C/C=C(/CO)\CC[C@H]2O[C@@]2(C)[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,5S,7E,11R)-1,5-ジメチル-5-(4-メチル-3-ペンテニル)-8-(ヒドロキシメチル)-12-オキサビシクロ[9.1.0]ドデカ-3,7-ジエン-2-イル
  • (1R,2R,3E,5S,7E,11R)-8-(ヒドロキシメチル)-1,5-ジメチル-5-(4-メチルペンタ-3-エン-1-イル)-12-オキサビシクロ[9.1.0]ドデカ-3,7-ジエン-2-イル 3-メチルブタ-2-エノアート
  • (1R,2R,3E,5S,7E,11R)-8-(hydroxymethyl)-1,5-dimethyl-5-(4-methylpent-3-en-1-yl)-12-oxabicyclo[9.1.0]dodeca-3,7-dien-2-yl 3-methylbut-2-enoate
Other name (5)：
  • 3-Methyl-2-butenoic acid (1R,2R,3E,5S,7E,11R)-1,5-dimethyl-5-(4-methyl-3-pentenyl)-8-(hydroxymethyl)-12-oxabicyclo[9.1.0]dodeca-3,7-diene-2-yl ester
  • (+)-ビブサニンA
  • (+)-Vibsanin A
  • ビブサニンA
  • Vibsanin A
CAS registry number： 72506-14-0
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