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ROXBURGHIADIOL-B;24-METHYLENE-28,29-BIS-NORCYClOARTAN-3-BETA-6-ALPHA-DIOL
SpectraBase Compound ID 6TuG37YHuw4
InChI InChI=1S/C29H48O2/c1-18(2)19(3)7-8-20(4)22-10-11-27(6)25-16-24(31)23-15-21(30)9-12-28(23)17-29(25,28)14-13-26(22,27)5/h18,20-25,30-31H,3,7-17H2,1-2,4-6H3/t20-,21+,22-,23?,24+,25?,26-,27+,28-,29+/m1/s1
InChIKey FLFAKBJFVNSCHC-ZJWKLCEJSA-N
Mol Weight 428.7 g/mol
Molecular Formula C29H48O2
Exact Mass 428.365431 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GSfiJFBaP65
Name ROXBURGHIADIOL-B;24-METHYLENE-28,29-BIS-NORCYClOARTAN-3-BETA-6-ALPHA-DIOL
Compound Number 11B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H48O2
InChI InChI=1S/C29H48O2/c1-18(2)19(3)7-8-20(4)22-10-11-27(6)25-16-24(31)23-15-21(30)9-12-28(23)17-29(25,28)14-13-26(22,27)5/h18,20-25,30-31H,3,7-17H2,1-2,4-6H3/t20-,21+,22-,23?,24+,25?,26-,27+,28-,29+/m1/s1
InChIKey FLFAKBJFVNSCHC-ZJWKLCEJSA-N
Literature Reference Author G.BRADER,S.VAJRODAYA,H.GREGER,M.BACHER,H.KALCHHAUSER,O.HOFER
Literature Reference Citation J.NAT.PROD.,61,1482(1998)
Literature Reference DOI 10.1021/np9801965
Molecular Weight 428.699 g/mol
Solvent CDCl3
Source File Reference UWRJ112