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Abbeokutone
SpectraBase Compound ID GZsukc6rhGK
InChI InChI=1S/C20H32O3/c1-17(2)14-6-9-19-10-13(20(23,11-19)12-21)4-5-15(19)18(14,3)8-7-16(17)22/h13-15,21,23H,4-12H2,1-3H3/t13-,14-,15+,18-,19+,20+/m1/s1
InChIKey MPDUJZZNNBJFAB-IPWGKGBGSA-N
Mol Weight 320.5 g/mol
Molecular Formula C20H32O3
Exact Mass 320.235145 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BMsWQ2fS4jB
Name Abbeokutone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H32O3
InChI InChI=1S/C20H32O3/c1-17(2)14-6-9-19-10-13(20(23,11-19)12-21)4-5-15(19)18(14,3)8-7-16(17)22/h13-15,21,23H,4-12H2,1-3H3/t13-,14-,15+,18-,19+,20+/m1/s1
InChIKey MPDUJZZNNBJFAB-IPWGKGBGSA-N
Molecular Weight 320.473 g/mol
SMILES O[C@]1(CO)C[C@]23[C@]([C@]4([C@@](C(C)(C)C(CC4)=O)(CC2)[H])C)(CC[C@@]1(C3)[H])[H]
SPLASH splash10-000i-0290000000-0ea5dd02945a063ce741
Source of Spectrum X2-54-1129-1
Wiley ID 1604173