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SPERGULATRIOL
SpectraBase Compound ID AyIn4frjcFW
InChI InChI=1S/C28H46O3/c1-16-8-11-26(5)22(16)18(30)15-28(7)23(26)17(29)14-20-25(4)12-10-21(31)24(2,3)19(25)9-13-27(20,28)6/h17-23,29-31H,1,8-15H2,2-7H3/t17-,18+,19+,20-,21+,22-,23-,25+,26+,27-,28-/m1/s1
InChIKey QLYYJDGQTGKQSV-WTJCQLNZSA-N
Mol Weight 430.7 g/mol
Molecular Formula C28H46O3
Exact Mass 430.344695 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GxC6Pu9tjMg
Name SPERGULATRIOL
Compound Number 8
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H46O3
InChI InChI=1S/C28H46O3/c1-16-8-11-26(5)22(16)18(30)15-28(7)23(26)17(29)14-20-25(4)12-10-21(31)24(2,3)19(25)9-13-27(20,28)6/h17-23,29-31H,1,8-15H2,2-7H3/t17-,18+,19+,20-,21+,22-,23-,25+,26+,27-,28-/m1/s1
InChIKey QLYYJDGQTGKQSV-WTJCQLNZSA-N
Literature Reference Author N.P.SAHU,K.KOIKE,S.BANERJEE,B.ACHARI,T.NIKAIDO
Literature Reference Citation PHYTOCHEM.,58,1177(2001)
Literature Reference DOI 10.1016/S0031-9422(01)00346-6
Molecular Weight 430.671 g/mol
Solvent C5D5N
Source File Reference UWLU3128