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TRITICUSTEROL
SpectraBase Compound ID 3EHLOmApGuI
InChI InChI=1S/C29H48O/c1-18(2)19(3)8-9-20(4)23-12-13-25-22-10-11-24-21(5)27(30)15-17-29(24,7)26(22)14-16-28(23,25)6/h18,20-21,23-25,27,30H,3,8-17H2,1-2,4-7H3/t20-,21+,23-,24+,25-,27+,28-,29+/m1/s1
InChIKey QLDNWJOJCDIMKK-WHEMHEAOSA-N
Mol Weight 412.7 g/mol
Molecular Formula C29H48O
Exact Mass 412.370516 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5sbYyzjyVsu
Name TRITICUSTEROL
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H48O
InChI InChI=1S/C29H48O/c1-18(2)19(3)8-9-20(4)23-12-13-25-22-10-11-24-21(5)27(30)15-17-29(24,7)26(22)14-16-28(23,25)6/h18,20-21,23-25,27,30H,3,8-17H2,1-2,4-7H3/t20-,21+,23-,24+,25-,27+,28-,29+/m1/s1
InChIKey QLDNWJOJCDIMKK-WHEMHEAOSA-N
Literature Reference Author T.AKIHISA,W.C.M.C.KOKKE,K.KOIKE,Y.KIMURA,C.MIZUKAMI,A.SADAIE ,T.MARUYAMA,T.NIKAID
Literature Reference Citation J.CHEM.SOC.PERKIN-1,497(1999)
Literature Reference DOI 10.1039/a808508k
Molecular Weight 412.700 g/mol
Solvent CDCl3
Source File Reference UWGE3374