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4.alpha.-Acetyl-2.beta.-angeloyl-5.alpha.,10-diisobutyryl-1.beta.,3.alpha.,8,11-tetrahydroxy-Bisabolene
SpectraBase Compound ID 5M5Pfyl7T6m
InChI InChI=1S/C30H48O12/c1-12-16(6)28(36)42-24-22(33)21(17(7)19(32)13-20(29(9,10)37)40-26(34)14(2)3)23(41-27(35)15(4)5)25(30(24,11)38)39-18(8)31/h12,14-15,19-25,32-33,37-38H,7,13H2,1-6,8-11H3/b16-12-/t19?,20?,21-,22-,23-,24-,25-,30+/m0/s1
InChIKey BUDAGGCDYODQJC-AHBCXUIRSA-N
Mol Weight 600.7 g/mol
Molecular Formula C30H48O12
Exact Mass 600.314577 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FUedhupVge
Name 4-ALPHA-ACETYL-2-BETA-ANGELOYL-5-ALPHA,10-DIISOBUTYRYL-1-BETA,3-ALPHA,8,11-TETRAHYDROXYBISABOLENE
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C30H48O12
InChI InChI=1S/C30H48O12/c1-12-16(6)28(36)42-24-22(33)21(17(7)19(32)13-20(29(9,10)37)40-26(34)14(2)3)23(41-27(35)15(4)5)25(30(24,11)38)39-18(8)31/h12,14-15,19-25,32-33,37-38H,7,13H2,1-6,8-11H3/b16-12-/t19?,20?,21-,22-,23-,24-,25-,30+/m0/s1
InChIKey BUDAGGCDYODQJC-AHBCXUIRSA-N
Literature Reference Author B.N.SU,Q.X.ZHU,Z.J.JIA
Literature Reference Citation PHYTOCHEM.,53,1103(2000)
Literature Reference DOI 10.1016/S0031-9422(99)00584-1
Molecular Weight 600.704 g/mol
Solvent CDCl3
Source File Reference UWLU2332