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19-(10->9)-ABEO-8-ALPHA,9-BETA,10-ALPHA-TIRUCALLA-5,15-DIENE-3-BETA,24-DIOL;ISOMER_1
SpectraBase Compound ID LbAKAPrEXm0
InChI InChI=1S/C30H50O2/c1-19(2)24(31)12-9-20(3)21-15-16-30(8)25-13-10-22-23(11-14-26(32)27(22,4)5)28(25,6)17-18-29(21,30)7/h10,20-21,23-26,31-32H,1,9,11-18H2,2-8H3/t20-,21-,23+,24?,25-,26-,28-,29-,30+/m0/s1
InChIKey QFUDFDUDEXELJE-XHKBNKRTSA-N
Mol Weight 442.7 g/mol
Molecular Formula C30H50O2
Exact Mass 442.381081 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 86Lhk353t2T
Name 19-(10->9)-ABEO-8-ALPHA,9-BETA,10-ALPHA-TIRUCALLA-5,15-DIENE-3-BETA,24-DIOL;ISOMER_1
Compound Number 6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C30H50O2
InChI InChI=1S/C30H50O2/c1-19(2)24(31)12-9-20(3)21-15-16-30(8)25-13-10-22-23(11-14-26(32)27(22,4)5)28(25,6)17-18-29(21,30)7/h10,20-21,23-26,31-32H,1,9,11-18H2,2-8H3/t20-,21-,23+,24?,25-,26-,28-,29-,30+/m0/s1
InChIKey QFUDFDUDEXELJE-XHKBNKRTSA-N
Literature Reference Author I.VALENTE,M.REIS,N.DUARTE,J.SERLY,J.MOLNAR,M.J.U.FERREIRA
Literature Reference Citation J.NAT.PROD.,75,1915(2012)
Literature Reference DOI 10.1021/np3004003
Molecular Weight 442.726 g/mol
Sample ID 41594
Solvent CDCl3