Chem
J-GLOBAL ID：200907045561531467   Nikkaji number：J1.766.727K

Clavubicyclone

クラブビシクロン
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： C25H34O7
Molecular formula furigana： C25-H34-O7
Molecular weight： 446.540
InChI： InChI=1S/C25H34O7/c1-5-6-7-8-9-10-11-19-16-21-20(14-15-25(19,24(21)29)32-18(3)27)22(31-17(2)26)12-13-23(28)30-4/h9-10,14-16,20-22H,5-8,11-13H2,1-4H3/b10-9-/t20-,21-,22-,25+/m1/s1
InChI key： YIWFJLGLYGKPCC-WGXSZPDRSA-N
SMILES： CCCCC/C=C\CC1=C[C@@H]2[C@@H](C=C[C@@]1(OC(=O)C)C2=O)[C@@H](CCC(=O)OC)OC(=O)C
Systematic name  (3)：
  • (1β,5S,γR)-5,γ-ジアセトキシ-6-[(Z)-2-オクテニル]-8-オキソビシクロ[3.2.1]オクタ-3,6-ジエン-2α-酪酸メチル
  • メチル (4R)-4-(アセチルオキシ)-4-[(1R,2R,5S)-5-(アセチルオキシ)-6-[(2Z)-オクタ-2-エン-1-イル]-8-オキソビシクロ[3.2.1]オクタ-3,6-ジエン-2-イル]ブタノアート
  • methyl (4R)-4-(acetyloxy)-4-[(1R,2R,5S)-5-(acetyloxy)-6-[(2Z)-oct-2-en-1-yl]-8-oxobicyclo[3.2.1]octa-3,6-dien-2-yl]butanoate
Other name (3)：
  • (1β,5S,γR)-5,γ-Diacetoxy-6-[(Z)-2-octenyl]-8-oxobicyclo[3.2.1]octa-3,6-diene-2α-butyric acid methyl ester
  • Clavubicyclone
  • クラブビシクロン
CAS registry number： 432551-45-6
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