John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=1ilhSxmFayM SpectraBase Spectrum ID=74ZBEU9tJtU

(accessed ).
CANDITRIOL;7-ALPHA,15-ALPHA,18-TRIHYDROXY-ENT-KAUR-16-ENE
SpectraBase Compound ID 1ilhSxmFayM
InChI InChI=1S/C20H32O3/c1-12-13-5-6-14-19(3)8-4-7-18(2,11-21)15(19)9-16(22)20(14,10-13)17(12)23/h13-17,21-23H,1,4-11H2,2-3H3/t13-,14+,15?,16-,17+,18-,19+,20-/m1/s1
InChIKey SMJRKTGCQAVGTN-FYUYTIFNSA-N
Mol Weight 320.5 g/mol
Molecular Formula C20H32O3
Exact Mass 320.235145 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 74ZBEU9tJtU
Name CANDITRIOL;7-ALPHA,15-ALPHA,18-TRIHYDROXY-ENT-KAUR-16-ENE
Compound Number 11
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H32O3
InChI InChI=1S/C20H32O3/c1-12-13-5-6-14-19(3)8-4-7-18(2,11-21)15(19)9-16(22)20(14,10-13)17(12)23/h13-17,21-23H,1,4-11H2,2-3H3/t13-,14+,15?,16-,17+,18-,19+,20-/m1/s1
InChIKey SMJRKTGCQAVGTN-FYUYTIFNSA-N
Literature Reference Author B.M.FRAGA,L.ALVAREZ,S.SUAREZ
Literature Reference Citation J.NAT.PROD.,66,327(2003)
Literature Reference DOI 10.1021/np020420x
Molecular Weight 320.472 g/mol
Solvent CDCl3
Source File Reference UWSI4590
SpectraBase Batch ID ExvddQmdtvO