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FRUTICOSIDE_A;4-ALPHA-METHYL-2-ALPHA,3-BETA,21-TRIHYDROXY-5-ALPHA-ERGOST-7,24-(28)-DIENE
SpectraBase Compound ID KUoLKhEkeLW
InChI InChI=1S/C29H48O3/c1-17(2)18(3)7-8-20(16-30)23-11-12-24-21-9-10-22-19(4)27(32)26(31)15-29(22,6)25(21)13-14-28(23,24)5/h9,17,19-20,22-27,30-32H,3,7-8,10-16H2,1-2,4-6H3/t19-,20?,22-,23+,24-,25-,26+,27+,28+,29-/m0/s1
InChIKey OJCFPYLTKWNLCE-VBOAGFEISA-N
Mol Weight 444.7 g/mol
Molecular Formula C29H48O3
Exact Mass 444.360345 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID XPmInYqdlw
Name FRUTICOSIDE_A;4-ALPHA-METHYL-2-ALPHA,3-BETA,21-TRIHYDROXY-5-ALPHA-ERGOST-7,24-(28)-DIENE
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H48O3
InChI InChI=1S/C29H48O3/c1-17(2)18(3)7-8-20(16-30)23-11-12-24-21-9-10-22-19(4)27(32)26(31)15-29(22,6)25(21)13-14-28(23,24)5/h9,17,19-20,22-27,30-32H,3,7-8,10-16H2,1-2,4-6H3/t19-,20?,22-,23+,24-,25-,26+,27+,28+,29-/m0/s1
InChIKey OJCFPYLTKWNLCE-VBOAGFEISA-N
Literature Reference Author Y.P.LIU,X.H.CAI,T.FENG,Y.LI,X.N.LI,X.D.LUO
Literature Reference Citation J.NAT.PROD.,74,1161(2011)
Literature Reference DOI 10.1021/np2000914
Molecular Weight 444.698 g/mol
Sample ID 38207
Solvent CDCl3:CD3OD