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3,20-ALPHA,22-BETA-TRIHYDROXY-24,29-DINOR-1(10),3,5,7-FRIEDELATETRAENE-2,21-DIONE;20,22-BETA-DIHYDROXYTINGENONE
SpectraBase Compound ID iNIWOYTNVY
InChI InChI=1S/C28H36O5/c1-15-16-7-8-19-24(2,17(16)13-18(29)21(15)30)9-11-27(5)20-14-28(6,33)23(32)22(31)25(20,3)10-12-26(19,27)4/h7-8,13,20,22,30-31,33H,9-12,14H2,1-6H3/t20-,22-,24+,25-,26-,27+,28+/m1/s1
InChIKey DPJLKZIEMXNYMP-QINSYNEOSA-N
Mol Weight 452.6 g/mol
Molecular Formula C28H36O5
Exact Mass 452.256274 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Ae0CiMCjcqC
Name 3,20-ALPHA,22-BETA-TRIHYDROXY-24,29-DINOR-1(10),3,5,7-FRIEDELATETRAENE-2,21-DIONE;20,22-BETA-DIHYDROXYTINGENONE
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H36O5
InChI InChI=1S/C28H36O5/c1-15-16-7-8-19-24(2,17(16)13-18(29)21(15)30)9-11-27(5)20-14-28(6,33)23(32)22(31)25(20,3)10-12-26(19,27)4/h7-8,13,20,22,30-31,33H,9-12,14H2,1-6H3/t20-,22-,24+,25-,26-,27+,28+/m1/s1
InChIKey DPJLKZIEMXNYMP-QINSYNEOSA-N
Literature Reference Author U.SOTANAPHUN,R.SUTTISRI,V.LIPIPUN,R.BAVOVADA
Literature Reference Citation PHYTOCHEM.,49,1749(1998)
Literature Reference DOI 10.1016/S0031-9422(98)00290-8
Molecular Weight 452.591 g/mol
Solvent CDCl3
Source File Reference UWLU676