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14-angeloyloxydeltonorcacalol
SpectraBase Compound ID HHTsD0fQgYp
InChI InChI=1S/C20H24O5/c1-6-11(2)20(23)25-10-15-16-12(3)8-7-9-14(16)19(24-5)18(22)17(15)13(4)21/h6-7,9,12,22H,8,10H2,1-5H3/b11-6-/t12-/m0/s1
InChIKey QCIYZQPUFWEBMV-DSDFTUOUSA-N
Mol Weight 344.41 g/mol
Molecular Formula C20H24O5
Exact Mass 344.162374 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Dc8aOW31kNu
Name 14-angeloyloxydeltonorcacalol
Appearance Yellow oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H24O5
InChI InChI=1S/C20H24O5/c1-6-11(2)20(23)25-10-15-16-12(3)8-7-9-14(16)19(24-5)18(22)17(15)13(4)21/h6-7,9,12,22H,8,10H2,1-5H3/b11-6-/t12-/m0/s1
InChIKey QCIYZQPUFWEBMV-DSDFTUOUSA-N
Instrument Name HP 5988A
Ionization Type EI
Literature Reference DOI 10.1021/np1004505
Molecular Weight 344.407 g/mol
Optical Rotation [a]D20 = +21 (c = 1.00, CHCl3)
Reported Formula C20H24O5
SMILES Oc1c(c2C=CC[C@@](c2c(c1C(=O)C)COC(=O)\C(=C/C)C)(C)[H])OC
SPLASH splash10-0536-9020000000-500c188d91314b01820d
Source of Spectrum G4-73-1956-Compound 1
Wiley ID 1848891