John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=120PiYzXedB SpectraBase Spectrum ID=J1mAhC4hc3u

(accessed ).
KITIGENIN;(20S,22R,25R)-SPIROST-1-BETA,3-BETA,4-BETA,5-BETA-TETROL
SpectraBase Compound ID 120PiYzXedB
InChI InChI=1S/C27H44O6/c1-14-5-10-27(32-13-14)15(2)22-20(33-27)11-18-16-6-9-26(31)23(30)19(28)12-21(29)25(26,4)17(16)7-8-24(18,22)3/h14-23,28-31H,5-13H2,1-4H3/t14-,15-,16+,17-,18-,19-,20-,21+,22-,23-,24-,25-,26-,27+/m0/s1
InChIKey FLDVFDQHJBXYFP-PBVSVCIJSA-N
Mol Weight 464.6 g/mol
Molecular Formula C27H44O6
Exact Mass 464.313789 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID J1mAhC4hc3u
Name KITIGENIN;(20S,22R,25R)-SPIROST-1-BETA,3-BETA,4-BETA,5-BETA-TETROL
Compound Number 3
Copyright Copyright © 2016-2020 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H44O6
InChI InChI=1S/C27H44O6/c1-14-5-10-27(32-13-14)15(2)22-20(33-27)11-18-16-6-9-26(31)23(30)19(28)12-21(29)25(26,4)17(16)7-8-24(18,22)3/h14-23,28-31H,5-13H2,1-4H3/t14-,15-,16+,17-,18-,19-,20-,21+,22-,23-,24-,25-,26-,27+/m0/s1
InChIKey FLDVFDQHJBXYFP-PBVSVCIJSA-N
Literature Reference Author S.PING,W.SAN-LONG,Y.CHONG-REN,C.BING,Y.XIN-SHENG
Literature Reference Citation ACTA.BOT.SINICA,45,626(2003)
Molecular Weight 464.643 g/mol
Solvent C5D5N
Source File Reference UWBT16807
SpectraBase Batch ID 69daemjTraM