John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=1726BtNUY55 SpectraBase Spectrum ID=1JEPAsUPcOK

(accessed ).
BLAZEISPIROL-U;(20S,22S,23R,24S)-14-BETA,22:22,25-DIEPOXY-23-HYDROXY-ERGOSTA-4,6,8,11-TETRAEN-3-ONE
SpectraBase Compound ID 1726BtNUY55
InChI InChI=1S/C28H36O4/c1-16-20-11-14-27(32-28(16)23(30)17(2)24(3,4)31-28)22-8-7-18-15-19(29)9-12-25(18,5)21(22)10-13-26(20,27)6/h7-8,10,13,15-17,20,23,30H,9,11-12,14H2,1-6H3/t16-,17-,20+,23+,25-,26+,27-,28-/m0/s1
InChIKey YOKQBCLMOKKBED-AJZAVILDSA-N
Mol Weight 436.6 g/mol
Molecular Formula C28H36O4
Exact Mass 436.26136 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1JEPAsUPcOK
Name BLAZEISPIROL-U;(20S,22S,23R,24S)-14-BETA,22:22,25-DIEPOXY-23-HYDROXY-ERGOSTA-4,6,8,11-TETRAEN-3-ONE
Compound Number 6
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H36O4
InChI InChI=1S/C28H36O4/c1-16-20-11-14-27(32-28(16)23(30)17(2)24(3,4)31-28)22-8-7-18-15-19(29)9-12-25(18,5)21(22)10-13-26(20,27)6/h7-8,10,13,15-17,20,23,30H,9,11-12,14H2,1-6H3/t16-,17-,20+,23+,25-,26+,27-,28-/m0/s1
InChIKey YOKQBCLMOKKBED-AJZAVILDSA-N
Literature Reference Author M.HIROTANI,K.SAI,R.NAGAI,S.HIROTANI,H.TAKAYANAGI,T.YOSHIKAWA
Literature Reference Citation PHYTOCHEM.,61,589(2002)
Literature Reference DOI 10.1016/S0031-9422(02)00353-9
Molecular Weight 436.591 g/mol
Solvent CDCl3
Source File Reference UWLU29418
SpectraBase Batch ID KuFnLI92E9a