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4.alpha.-Acetyl-2.beta.-angeloyl-5.alpha.,8-diisobutyryl-1.beta.,3.alpha.,10,11-tetrahydroxy-Bisabolene
SpectraBase Compound ID Bf1dWFAMgNg
InChI InChI=1S/C30H48O12/c1-12-16(6)28(36)42-24-22(33)21(17(7)19(40-26(34)14(2)3)13-20(32)29(9,10)37)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-/m1/s1
InChIKey JFSHVFZPJSXAOC-OQLHWOCHSA-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 J8w6x4ue6Gw
Name 4-ALPHA-ACETYL-2-BETA-ANGELOYL-5-ALPHA,8-DIISOBUTYRYL-1-BETA,3-ALPHA,10,11-TETRAHYDROXYBISABOLENE
Compound Number 3
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(40-26(34)14(2)3)13-20(32)29(9,10)37)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-/m1/s1
InChIKey JFSHVFZPJSXAOC-OQLHWOCHSA-N
Literature Reference Author H.CHEN,Y.ZHU,X.M.SHEN,Z.J.JIA
Literature Reference Citation J.NAT.PROD.,59,1117(1996)
Literature Reference DOI 10.1021/np9601768
Molecular Weight 600.704 g/mol
Solvent CDCl3
Source File Reference UWKP83