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Nigakilactone L
SpectraBase Compound ID 6buoEit5NYd
InChI InChI=1S/C22H30O7/c1-10-6-12(26-5)18(24)20(2)11(10)7-14-21(3)13(8-15(23)29-14)22(4,25)19-16(17(20)21)27-9-28-19/h6,10-11,13-14,16-17,19,25H,7-9H2,1-5H3/t10-,11+,13-,14-,16-,17-,19+,20+,21-,22+/m1/s1
InChIKey DUAQCTANPNATFA-UIZDONGJSA-N
Mol Weight 406.48 g/mol
Molecular Formula C22H30O7
Exact Mass 406.199153 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ErbKoWvOMqh
Name Nigakilactone L
CAS Registry Number 35334-40-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H30O7
InChI InChI=1S/C22H30O7/c1-10-6-12(26-5)18(24)20(2)11(10)7-14-21(3)13(8-15(23)29-14)22(4,25)19-16(17(20)21)27-9-28-19/h6,10-11,13-14,16-17,19,25H,7-9H2,1-5H3/t10-,11+,13-,14-,16-,17-,19+,20+,21-,22+/m1/s1
InChIKey DUAQCTANPNATFA-UIZDONGJSA-N
Molecular Weight 406.475 g/mol
SMILES O[C@@]1([C@@]2([C@@]([C@]3([C@@]4([C@]1(CC(O[C@@]4(C[C@@]1([C@@]3(C(C(=C[C@]1(C)[H])OC)=O)C)[H])[H])=O)[H])C)[H])(OCO2)[H])[H])C
SPLASH splash10-1000-0922000000-95950d50e5e4b1bccf56
Source of Spectrum O8-0-297-0
Wiley ID 1372137