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CHAETOVIRIDIN_G
SpectraBase Compound ID BhHVJUwBIit
InChI InChI=1S/C23H25ClO5/c1-6-12(3)8-9-14-10-15-16(11-28-14)18-17(20(25)13(4)7-2)22(27)29-23(18,5)21(26)19(15)24/h7-12,17-18H,6H2,1-5H3/b9-8+,13-7+/t12-,17+,18+,23-/m0/s1
InChIKey GFTHCZMPYKVNIC-GETGECRZSA-N
Mol Weight 416.9 g/mol
Molecular Formula C23H25ClO5
Exact Mass 416.139052 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7dowJmDgRes
Name Chaetoviridin G
Appearance Orange amorphous solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H25ClO5
InChI InChI=1S/C23H25ClO5/c1-6-12(3)8-9-14-10-15-16(11-28-14)18-17(20(25)13(4)7-2)22(27)29-23(18,5)21(26)19(15)24/h7-12,17-18H,6H2,1-5H3/b9-8+,13-7+/t12-,17+,18+,23-/m0/s1
InChIKey GFTHCZMPYKVNIC-GETGECRZSA-N
Instrument Name Agilent-LR and Finningan Mat95 S
Ionization Type EI
Literature Reference DOI 10.1021/np200110f
Molecular Weight 416.901 g/mol
Optical Rotation [a]D20 = +5.5 (c = 0.002, CHCl3)
Reported Formula C23H25ClO5
SMILES C1(=O)[C@@]2(C)OC(=O)[C@@](C(\C(C)=C\C)=O)([C@]2(C2=COC(\C=C\[C@@](C)(CC)[H])=CC2=C1Cl)[H])[H]
SPLASH splash10-067i-9027800000-28ef70468882aaa74ba6
Source of Spectrum G4-74-SM27-11
Wiley ID 1852095