Chem
J-GLOBAL ID:200907050429013930   Nikkaji number:J1.819.481C

(Z)-2-Methyl-2-butenoic acid 1-isobutenyl-3-[(1α)-2β,3β,6β-triacetoxy-4-methyl-4-cyclohexenyl]butyl ester

(Z)-2-メチル-2-ブテン酸1-イソブテニル-3-[(1α)-2β,3β,6β-トリアセトキシ-4-メチル-4-シクロヘキセニル]ブチル
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: C26H38O8
Molecular formula furigana: C26-H38-O8
Molecular weight: 478.582
InChI: InChI=1S/C26H38O8/c1-10-15(4)26(30)34-21(11-14(2)3)12-16(5)23-22(31-18(7)27)13-17(6)24(32-19(8)28)25(23)33-20(9)29/h10-11,13,16,21-25H,12H2,1-9H3/b15-10-/t16?,21?,22-,23+,24+,25-/m1/s1
InChI key: HIOQBMNUCHNSHW-ZCADIQBISA-N
SMILES: C/C=C(/C)\C(=O)OC(CC(C)[C@H]1[C@H](OC(=O)C)C=C(C)[C@H](OC(=O)C)[C@@H]1OC(=O)C)C=C(C)C
Systematic name  (3):
  • (Z)-2-メチル-2-ブテン酸1-イソブテニル-3-[(1α)-2β,3β,6β-トリアセトキシ-4-メチル-4-シクロヘキセニル]ブチル
  • 2-メチル-6-[(1S,2R,5S,6R)-2,5,6-トリス(アセチルオキシ)-4-メチルシクロヘキサ-3-エン-1-イル]ヘプタ-2-エン-4-イル (2Z)-2-メチルブタ-2-エノアート
  • 2-methyl-6-[(1S,2R,5S,6R)-2,5,6-tris(acetyloxy)-4-methylcyclohex-3-en-1-yl]hept-2-en-4-yl (2Z)-2-methylbut-2-enoate
Other name (1):
  • (Z)-2-Methyl-2-butenoic acid 1-isobutenyl-3-[(1α)-2β,3β,6β-triacetoxy-4-methyl-4-cyclohexenyl]butyl ester
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