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Tsitsixenicin A

View entire compound with spectra: 1 MS (GC)

Tsitsixenicin A
SpectraBase Compound ID 8DvEsUVnACI
InChI InChI=1S/C24H34O5/c1-15(2)10-13-22(28-18(5)25)21-14-27-24(29-19(6)26)23-17(4)9-7-8-16(3)11-12-20(21)23/h8,10,14,20,22-24H,4,7,9,11-13H2,1-3,5-6H3/b16-8+/t20-,22?,23+,24+/m1/s1
InChIKey TVJNNVZCBNICJU-RLBAGDGWSA-N
Mol Weight 402.5 g/mol
Molecular Formula C24H34O5
Exact Mass 402.240624 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CRy7dYSUY9L
Name Tsitsixenicin A
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H34O5
InChI InChI=1S/C24H34O5/c1-15(2)10-13-22(28-18(5)25)21-14-27-24(29-19(6)26)23-17(4)9-7-8-16(3)11-12-20(21)23/h8,10,14,20,22-24H,4,7,9,11-13H2,1-3,5-6H3/b16-8+/t20-,22?,23+,24+/m1/s1
InChIKey TVJNNVZCBNICJU-RLBAGDGWSA-N
Molecular Weight 402.531 g/mol
SMILES C=1([C@@]2([C@@](C(=C)CC\C=C\(CC2)C)([H])[C@@](OC1)(OC(=O)C)[H])[H])C(OC(=O)C)CC=C(C)C
SPLASH splash10-0006-9000000000-bc1ecbe666335022e4f0
Source of Spectrum F-51-9981-6
Synonyms 1-[(1S,4aS,11aR)-1-(acetyloxy)-7-methyl-11-methylene-1,4a,5,6,9,10,11,11a-octahydrocyclonona[c]pyran-4-yl]-4-methyl-3-pentenyl acetate Acetic acid[(1S,4aS,7E,11aR)-4-(1-acetoxy-4-methyl-pent-3-enyl)-7-methyl-11-methylene-4a,5,6,9,10,11a-hexahydro-1H-cyclonona[c]pyran-1-yl]ester Acetic acid[(1S,4aS,7E,11aR)-4-(1-acetyloxy-4-methylpent-3-enyl)-7-methyl-11-methylene-4a,5,6,9,10,11a-hexahydro-1H-cyclonona[c]pyran-1-yl]ester [(1S,4aS,7E,11aR)-4-(1-acetoxy-4-methyl-pent-3-enyl)-7-methyl-11-methylene-4a,5,6,9,10,11a-hexahydro-1H-cyclonona[c]pyran-1-yl]acetate [(1S,4aS,7E,11aR)-4-(1-acetyloxy-4-methyl-pent-3-enyl)-7-methyl-11-methylidene-4a,5,6,9,10,11a-hexahydro-1H-cyclonona[c]pyran-1-yl]ethanoate [(1S,4aS,7E,11aR)-4-(1-acetyloxy-4-methylpent-3-enyl)-7-methyl-11-methylidene-4a,5,6,9,10,11a-hexahydro-1H-cyclonona[c]pyran-1-yl]acetate Acetic acid [(1S,4aS,7E,11aR)-4-(1-acetyloxy-4-methylpent-3-enyl)-7-methyl-11-methylene-4a,5,6,9,10,11a-hexahydro-1H-cyclonona[c]pyran-1-yl] ester [(1S,4aS,7E,11aR)-4-(1-acetyloxy-4-methylpent-3-enyl)-7-methyl-11-methylidene-4a,5,6,9,10,11a-hexahydro-1H-cyclonona[c]pyran-1-yl] acetate [(1S,4aS,7E,11aR)-4-(1-acetoxy-4-methyl-pent-3-enyl)-7-methyl-11-methylene-4a,5,6,9,10,11a-hexahydro-1H-cyclonona[c]pyran-1-yl] acetate [(1S,4aS,7E,11aR)-4-(1-acetyloxy-4-methyl-pent-3-enyl)-7-methyl-11-methylidene-4a,5,6,9,10,11a-hexahydro-1H-cyclonona[c]pyran-1-yl] ethanoate
Wiley ID 793380