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Acetic acid 12-((E)-3,7-dimethyl-octa-2,6-dienyl)-5-hydroxy-2,2-dimethyl-6-oxo-3,4-dihydro-2H,6H-pyrano[3,2-b]xanthen-8-yl ester

View entire compound with spectra: 1 MS (GC)

Acetic acid 12-((E)-3,7-dimethyl-octa-2,6-dienyl)-5-hydroxy-2,2-dimethyl-6-oxo-3,4-dihydro-2H,6H-pyrano[3,2-b]xanthen-8-yl ester
SpectraBase Compound ID 3WDLBfV47d0
InChI InChI=1S/C30H34O6/c1-17(2)8-7-9-18(3)10-12-22-28-21(14-15-30(5,6)36-28)26(32)25-27(33)23-16-20(34-19(4)31)11-13-24(23)35-29(22)25/h8,10-11,13,16,32H,7,9,12,14-15H2,1-6H3/b18-10+
InChIKey LQKDXIMRCVJTDL-VCHYOVAHSA-N
Mol Weight 490.6 g/mol
Molecular Formula C30H34O6
Exact Mass 490.235539 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2wciNEIcrYm
Name Acetic acid 12-((E)-3,7-dimethyl-octa-2,6-dienyl)-5-hydroxy-2,2-dimethyl-6-oxo-3,4-dihydro-2H,6H-pyrano[3,2-b]xanthen-8-yl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H34O6
InChI InChI=1S/C30H34O6/c1-17(2)8-7-9-18(3)10-12-22-28-21(14-15-30(5,6)36-28)26(32)25-27(33)23-16-20(34-19(4)31)11-13-24(23)35-29(22)25/h8,10-11,13,16,32H,7,9,12,14-15H2,1-6H3/b18-10+
InChIKey LQKDXIMRCVJTDL-VCHYOVAHSA-N
Molecular Weight 490.596 g/mol
SMILES Oc1c2c(c(C\C=C\(CCC=C(C)C)C)c3c1CCC(O3)(C)C)Oc1ccc(cc1C2=O)OC(=O)C
SPLASH splash10-014i-0027900000-7051cd84a90b237d1328
Source of Spectrum F-65-3011-3a
Synonyms Cochinchinone K 7-Acetate Acetic acid [12-[(2E)-3,7-dimethylocta-2,6-dienyl]-5-hydroxy-2,2-dimethyl-6-oxo-3,4-dihydropyrano[3,2-b]xanthen-8-yl] ester [12-[(2E)-3,7-dimethylocta-2,6-dienyl]-5-hydroxy-2,2-dimethyl-6-oxo-3,4-dihydropyrano[3,2-b]xanthen-8-yl] acetate [12-[(2E)-3,7-dimethylocta-2,6-dienyl]-2,2-dimethyl-5-oxidanyl-6-oxidanylidene-3,4-dihydropyrano[3,2-b]xanthen-8-yl] ethanoate
Wiley ID 1681275