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CRYPTOCHINONE_F;2,7-DI-EPI-7-O-METHYLCRYPTOCHINONE_A
SpectraBase Compound ID JHqxbHFwmTp
InChI InChI=1S/C18H18O5/c1-21-15-9-14-17(11-7-16(20)23-18(11)15)12(19)8-13(22-14)10-5-3-2-4-6-10/h2-6,11,13,15,18H,7-9H2,1H3/t11-,13-,15-,18-/m1/s1
InChIKey CEQRNWQUBHZVDF-VBVJRUAFSA-N
Mol Weight 314.34 g/mol
Molecular Formula C18H18O5
Exact Mass 314.115424 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2HDMtwzmu8z
Name 2,7-di-epi-7-O-Methylcryptochinone A
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H18O5
InChI InChI=1S/C18H18O5/c1-21-15-9-14-17(11-7-16(20)23-18(11)15)12(19)8-13(22-14)10-5-3-2-4-6-10/h2-6,11,13,15,18H,7-9H2,1H3/t11-,13-,15-,18-/m1/s1
InChIKey CEQRNWQUBHZVDF-VBVJRUAFSA-N
Instrument Name Quattro
Ionization Type EI
Literature Reference DOI 10.1021/np100014j
Molecular Weight 314.337 g/mol
Optical Rotation [a]D25 = +96 (c = 0.40, CHCl3)
Reported Formula C18H18O5
SMILES C1=2O[C@](CC(C2[C@@]2([C@]([C@@](C1)(OC)[H])(OC(C2)=O)[H])[H])=O)(c1ccccc1)[H]
SPLASH splash10-0udi-2900000000-6d74d8c14e8db18e82d2
Source of Spectrum G4-73-1475-6
Wiley ID 1849010