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Crocusatin G
SpectraBase Compound ID 5dLqD2aakZI
InChI InChI=1S/C12H20O2/c1-5-10(14)11-8(2)6-9(13)7-12(11,3)4/h9,13H,5-7H2,1-4H3/t9-/m0/s1
InChIKey AWEBWMVKWDSYSS-VIFPVBQESA-N
Mol Weight 196.29 g/mol
Molecular Formula C12H20O2
Exact Mass 196.14633 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9xn7pqUE3xT
Name Crocusatin G
Appearance Colorless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H20O2
InChI InChI=1S/C12H20O2/c1-5-10(14)11-8(2)6-9(13)7-12(11,3)4/h9,13H,5-7H2,1-4H3/t9-/m0/s1
InChIKey AWEBWMVKWDSYSS-VIFPVBQESA-N
Instrument Name VG70-250S
Ionization Type EI
Literature Reference DOI 10.1021/np020188v
Molecular Weight 196.290 g/mol
Optical Rotation [a]D25 = +54 (c = 0.05, C5H5N), +72 (c = 0.03, MeOH)
Reported Formula C12H20O2
SMILES O[C@@]1(CC(C(=C(C1)C)C(=O)CC)(C)C)[H]
SPLASH splash10-03di-0900000000-e32393bf02dfe9c1b16c
Source of Spectrum G4-65-1455-2
Wiley ID 1883411