Chem
J-GLOBAL ID：200907084052530350   Nikkaji number：J14.183F

Mexicanolide

メキシカノリド
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： C27H32O7
Molecular formula furigana： C27-H32-O7
Molecular weight： 468.546
InChI： InChI=1S/C27H32O7/c1-25(2)19(12-20(28)32-5)27(4)17-6-8-26(3)18(15(17)10-16(22(25)30)23(27)31)11-21(29)34-24(26)14-7-9-33-13-14/h7,9,13,16-17,19,24H,6,8,10-12H2,1-5H3/t16-,17-,19-,24-,26+,27+/m0/s1
InChI key： DNFJSIPZGYBGON-JCLAUGGVSA-N
SMILES： COC(=O)C[C@H]1C(C)(C)C(=O)[C@@H]2CC3=C4CC(=O)O[C@@H](c5ccoc5)[C@]4(C)CC[C@@H]3[C@@]1(C)C2=O
Systematic name  (3)：
  • (4R)-4-(3-フリル)-1,4,4a,5,6,6aβ,7,8,9,10,11,12-ドデカヒドロ-4aβ,7,9,9-テトラメチル-2,10,13-トリオキソ-7β,11β-メタノ-2H-シクロオクタ[f][2]ベンゾピラン-8β-酢酸メチル
  • メチル 2-[(1R,2S,5R,6R,13S,16S)-6-(フラン-3-イル)-1,5,15,15-テトラメチル-8,14,17-トリオキソ-7-オキサテトラシクロ[11.3.1.02,11.05,10]ヘプタデカ-10-エン-16-イル]アセタート
  • methyl 2-[(1R,2S,5R,6R,13S,16S)-6-(furan-3-yl)-1,5,15,15-tetramethyl-8,14,17-trioxo-7-oxatetracyclo[11.3.1.02,11.05,10]heptadec-10-en-16-yl]acetate
Other name (3)：
  • メキシカノリド
  • Mexicanolide
  • (4R)-4-(3-Furyl)-1,4,4a,5,6,6aβ,7,8,9,10,11,12-dodecahydro-4aβ,7,9,9-tetramethyl-2,10,13-trioxo-7β,11β-methano-2H-cycloocta[f][2]benzopyran-8β-acetic acid methyl ester
CAS registry number： 1915-67-9
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