Cas no 1233534-51-4 (9,10-epoxy-6alpha-O-tigloyl-7alphaH-8beta-O-(3''-acetoxy-2''-methylbutyryl)germacra-3(4)E-en-5beta-ol)

9,10-epoxy-6alpha-O-tigloyl-7alphaH-8beta-O-(3''-acetoxy-2''-methylbutyryl)germacra-3(4)E-en-5beta-ol structure
1233534-51-4 structure
Product Name:9,10-epoxy-6alpha-O-tigloyl-7alphaH-8beta-O-(3''-acetoxy-2''-methylbutyryl)germacra-3(4)E-en-5beta-ol
CAS No:1233534-51-4
MF:C27H42O8
MW:494.617589473724
CID:2018153
Update Time:2024-11-07

9,10-epoxy-6alpha-O-tigloyl-7alphaH-8beta-O-(3''-acetoxy-2''-methylbutyryl)germacra-3(4)E-en-5beta-ol Chemical and Physical Properties

Names and Identifiers

    • 9,10-epoxy-6alpha-O-tigloyl-7alphaH-8beta-O-(3''-acetoxy-2''-methylbutyryl)germacra-3(4)E-en-5beta-ol
    • trijugin F
    • 2-Butenoic acid, 2-methyl-, (1R,2S,3S,4S,5S,10R)-2-[3-(acetyloxy)-2-methyl-1-oxobutoxy]-5-hydroxy-6,10-dimethyl-3-(1-methylethyl)-11-oxabicyclo[8.1.0]undec-6-en-4-yl ester, (2E)-
    • Inchi: 1S/C27H42O8/c1-10-15(4)25(30)33-22-20(14(2)3)23(34-26(31)17(6)18(7)32-19(8)28)24-27(9,35-24)13-11-12-16(5)21(22)29/h10,12,14,17-18,20-24,29H,11,13H2,1-9H3
    • InChI Key: HLXZWVNVYGBORY-UHFFFAOYSA-N
    • SMILES: CC=C(C(OC1C(C(C)C)C(OC(C(C(OC(=O)C)C)C)=O)C2C(O2)(C)CCC=C(C)C1O)=O)C

Experimental Properties

  • Density: 1.13±0.1 g/cm3(Predicted)
  • Melting Point: 108-110 °C(Solv: chloroform (67-66-3))
  • Boiling Point: 529.7±50.0 °C(Predicted)
  • pka: 13.18±0.70(Predicted)
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