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RUBRISANDRIN_A
SpectraBase Compound ID KZeZAEqptsq
InChI InChI=1S/C22H28O6/c1-11-7-13-9-15(23)20(26-4)22(28-6)18(13)17-14(8-12(11)2)10-16(25-3)21(27-5)19(17)24/h9-12,23-24H,7-8H2,1-6H3/t11-,12+/m1/s1
InChIKey YTAKUZMOQQARQX-NEPJUHHUSA-N
Mol Weight 388.46 g/mol
Molecular Formula C22H28O6
Exact Mass 388.188589 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4k8huvoSkZn
Name Rubrisandrin A
Appearance Amorphous solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H28O6
InChI InChI=1S/C22H28O6/c1-11-7-13-9-15(23)20(26-4)22(28-6)18(13)17-14(8-12(11)2)10-16(25-3)21(27-5)19(17)24/h9-12,23-24H,7-8H2,1-6H3/t11-,12+/m1/s1
InChIKey YTAKUZMOQQARQX-NEPJUHHUSA-N
Instrument Name Kratos concept 1H
Ionization Type EI
Literature Reference DOI 10.1021/np060239e
Molecular Weight 388.460 g/mol
Optical Rotation [a]D22 = +18.5 (c = 0.17, MeOH)
Reported Formula C22H28O6
SMILES Oc1c2-c3c(cc(c(c3OC)OC)O)C[C@]([C@](Cc2cc(c1OC)OC)(C)[H])(C)[H]
SPLASH splash10-000i-2009000000-fcfbb372ca88cfa4a0be
Source of Spectrum G4-69-1700-1a
Wiley ID 1874021