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Dimethyl-(19R)-Plakinidone B
SpectraBase Compound ID KcSrn6h0nuc
InChI InChI=1S/C26H40O4/c1-21-24(29-4)26(2,30-25(21)27)20-14-12-10-8-6-5-7-9-11-13-15-22-16-18-23(28-3)19-17-22/h16-19H,5-15,20H2,1-4H3/t26-/m1/s1
InChIKey YOCOPIFIXLSBJQ-AREMUKBSSA-N
Mol Weight 416.6 g/mol
Molecular Formula C26H40O4
Exact Mass 416.29266 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7rYXkLZ0fQ4
Name Dimethyl-(19R)-Plakinidone B
Appearance Colorless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H40O4
InChI InChI=1S/C26H40O4/c1-21-24(29-4)26(2,30-25(21)27)20-14-12-10-8-6-5-7-9-11-13-15-22-16-18-23(28-3)19-17-22/h16-19H,5-15,20H2,1-4H3/t26-/m1/s1
InChIKey YOCOPIFIXLSBJQ-AREMUKBSSA-N
Instrument Name LRMS
Ionization Type EI
Literature Reference DOI 10.1021/acs.jnatprod.7b00300
Molecular Weight 416.602 g/mol
Optical Rotation [a]D20 = -12 (c = 0.9, CHCl3)
SMILES c1cc(ccc1OC)CCCCCCCCCCCC[C@@]1(C(=C(C(O1)=O)C)OC)C
SPLASH splash10-0002-1900000000-6cefd7ec4503806799ee
Sample Comments minor
Source of Spectrum G4-80-2300-6
Wiley ID 1867628