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(+)-Howiinol A
SpectraBase Compound ID Ab0dQxF3ZW1
InChI InChI=1S/C22H20O6/c23-17-12-14-19(25)28-22(17)20(26)21(16-9-5-2-6-10-16)27-18(24)13-11-15-7-3-1-4-8-15/h1-14,17,20-23,26H/b13-11+/t17-,20+,21+,22+/m0/s1
InChIKey HCJURVKKVSCZRL-VTWBULIDSA-N
Mol Weight 380.4 g/mol
Molecular Formula C22H20O6
Exact Mass 380.125988 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9tPmPXRmkyn
Name (+)-Howiinol A
Appearance Colorless needles
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H20O6
InChI InChI=1S/C22H20O6/c23-17-12-14-19(25)28-22(17)20(26)21(16-9-5-2-6-10-16)27-18(24)13-11-15-7-3-1-4-8-15/h1-14,17,20-23,26H/b13-11+/t17-,20+,21+,22+/m0/s1
InChIKey HCJURVKKVSCZRL-VTWBULIDSA-N
Instrument Name Thermo Finnigan Polaris Q
Ionization Type EI
Literature Reference DOI 10.1021/np060323u
Molecular Weight 380.396 g/mol
Optical Rotation [a]D28 = +122 (c = 0.1, CHCl3)
SMILES O[C@@]([C@@]1(OC(C=C[C@@]1(O)[H])=O)[H])([C@@](c1ccccc1)(OC(\C=C\c1ccccc1)=O)[H])[H]
SPLASH splash10-001i-0900000000-8a5a279644e78f94f62a
Source of Spectrum G4-69-SM3-5
Wiley ID 1874032