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Tricycloalterfurene C
SpectraBase Compound ID 7aTR9egjZxy
InChI InChI=1S/C21H32O6/c1-12(5-8-17(24)20(2,3)25)9-13-11-21(4)18(26-13)10-14-15(22)6-7-16(23)19(14)27-21/h9,13,16-18,23-25H,5-8,10-11H2,1-4H3/b12-9+/t13-,16-,17?,18+,21+/m0/s1
InChIKey FWXCOKASJBNAHR-MKZAAYLKSA-N
Mol Weight 380.5 g/mol
Molecular Formula C21H32O6
Exact Mass 380.219889 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ew3n7OsRxzp
Name Tricycloalterfurene C
Appearance Colorless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H32O6
InChI InChI=1S/C21H32O6/c1-12(5-8-17(24)20(2,3)25)9-13-11-21(4)18(26-13)10-14-15(22)6-7-16(23)19(14)27-21/h9,13,16-18,23-25H,5-8,10-11H2,1-4H3/b12-9+/t13-,16-,17?,18+,21+/m0/s1
InChIKey FWXCOKASJBNAHR-MKZAAYLKSA-N
Instrument Name Autospec Premier P776
Ionization Type EI
Literature Reference DOI 10.1021/acs.jnatprod.7b00478
Molecular Weight 380.481 g/mol
Optical Rotation [a]D19 = +110 (c = 0.07, MeOH)
Reported Formula C21H32O6
SMILES O[C@]1(CCC(C2=C1O[C@]1([C@](O[C@@](\C=C\(CCC(C(C)(C)O)O)C)(C1)[H])(C2)[H])C)=O)[H]
SPLASH splash10-002b-2912000000-9cf2b82cf701b18cb6db
Source of Spectrum G4-80-2528-4
Wiley ID 1867633