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Hydroxyniranthin - acetate

View entire compound with spectra: 1 MS (GC)

Hydroxyniranthin - acetate
SpectraBase Compound ID F5LXGOE17jO
InChI InChI=1S/C26H34O9/c1-16(27)35-25(18-7-8-21(30-4)22(12-18)31-5)20(14-29-3)19(13-28-2)9-17-10-23(32-6)26-24(11-17)33-15-34-26/h7-8,10-12,19-20,25H,9,13-15H2,1-6H3/t19-,20-,25-/m0/s1
InChIKey IHIOHRSCCQVOKI-RLSLOFABSA-N
Mol Weight 490.5 g/mol
Molecular Formula C26H34O9
Exact Mass 490.220283 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LPaDVHtNMwm
Name Hydroxyniranthin - acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H34O9
InChI InChI=1S/C26H34O9/c1-16(27)35-25(18-7-8-21(30-4)22(12-18)31-5)20(14-29-3)19(13-28-2)9-17-10-23(32-6)26-24(11-17)33-15-34-26/h7-8,10-12,19-20,25H,9,13-15H2,1-6H3/t19-,20-,25-/m0/s1
InChIKey IHIOHRSCCQVOKI-RLSLOFABSA-N
Molecular Weight 490.549 g/mol
SMILES c12c(OCO2)cc(cc1OC)C[C@]([C@@]([C@](c1cc(OC)c(cc1)OC)(OC(=O)C)[H])(COC)[H])(COC)[H]
SPLASH splash10-014i-0931400000-aff6621c90e05bf97282
Source of Spectrum X2-51-49-3
Wiley ID 1602544