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TUPICHINOL-A-PERACETYLATED;(2R,3R)-3,4'-DIACETOXY-7-METHOXY-8-METHYLFLAVAN
SpectraBase Compound ID CrI2lH7Ve7e
InChI InChI=1S/C21H22O6/c1-12-18(24-4)10-7-16-11-19(26-14(3)23)21(27-20(12)16)15-5-8-17(9-6-15)25-13(2)22/h5-10,19,21H,11H2,1-4H3/t19-,21-/m1/s1
InChIKey IDVCKHJDENGUBW-TZIWHRDSSA-N
Mol Weight 370.4 g/mol
Molecular Formula C21H22O6
Exact Mass 370.141638 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5DtEtPXemO
Name [4-[(2R,3R)-3-acetoxy-7-methoxy-8-methyl-chroman-2-yl]phenyl] acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H22O6
InChI InChI=1S/C21H22O6/c1-12-18(24-4)10-7-16-11-19(26-14(3)23)21(27-20(12)16)15-5-8-17(9-6-15)25-13(2)22/h5-10,19,21H,11H2,1-4H3/t19-,21-/m1/s1
InChIKey IDVCKHJDENGUBW-TZIWHRDSSA-N
Instrument Name JEOL JMS-SX/SX 102A or Quattro GC/MS
Ionization Type EI
Literature Reference DOI 10.1021/np0203382
Molecular Weight 370.401 g/mol
SMILES c1(c(c2c(cc1)C[C@]([C@](O2)(c1ccc(cc1)OC(=O)C)[H])(OC(C)=O)[H])C)OC
SPLASH splash10-03xr-0944000000-0521d53668e160765d3f
Source of Spectrum G4-66-167-1a
Wiley ID 1881213