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(1R*,2S*,4R*,5S*)-4-(Acetyloxy)-2-[3-(acetyloxy)-1,5-dimethylhex-4-enyl]-5-methylcyclohexyl (2Z)-2-Methylbut-2-enoate
SpectraBase Compound ID 2hRIYTkAQTo
InChI InChI=1S/C24H40O6/c1-9-15(4)24(27)30-23-12-17(6)22(29-19(8)26)13-21(23)16(5)11-20(10-14(2)3)28-18(7)25/h9-10,16-17,20-24,27H,11-13H2,1-8H3/b15-9-/t16?,17-,20?,21-,22+,23+,24?/m0/s1
InChIKey KGYRNPHUDYZUGU-LYHKERPHSA-N
Mol Weight 424.6 g/mol
Molecular Formula C24H40O6
Exact Mass 424.282489 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Fd1PztXH2tj
Name (1R*,2S*,4R*,5S*)-4-(Acetyloxy)-2-[3-(acetyloxy)-1,5-dimethylhex-4-enyl]-5-methylcyclohexyl (2Z)-2-Methylbut-2-enoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H40O6
InChI InChI=1S/C24H40O6/c1-9-15(4)24(27)30-23-12-17(6)22(29-19(8)26)13-21(23)16(5)11-20(10-14(2)3)28-18(7)25/h9-10,16-17,20-24,27H,11-13H2,1-8H3/b15-9-/t16?,17-,20?,21-,22+,23+,24?/m0/s1
InChIKey KGYRNPHUDYZUGU-LYHKERPHSA-N
Literature Reference DOI 10.1002_1522-2675(200209)85_9_2982
Molecular Weight 424.578 g/mol
SMILES OC(O[C@@]1(C[C@@]([C@](OC(C)=O)(C[C@]1(C(C)CC(OC(C)=O)C=C(C)C)[H])[H])(C)[H])[H])\C(C)=C/C
SPLASH splash10-0pc9-9440000000-edf5568322316c7c6718
Source of Spectrum H-85-2987-1
Synonyms (1R*,3S*,4R*,6S*)-4,9-bis(acetyloxy)-1-{[(2Z)-2-methylbut-2-enoyl]oxy}bisabol-10(11)-ene (6S)-6-((1S,2R,4S,5R)-5-acetoxy-2-(((Z)-1-hydroxy-2-methylbut-2-en-1-yl)oxy)-4-methylcyclohexyl)-2-methylhept-2-en-4-yl acetate (6R)-6-((1RS,2SR,4RS,5SR)-5-acetoxy-2-(((Z)-1-hydroxy-2-methylbut-2-en-1-yl)oxy)-4-methylcyclohexyl)-2-methylhept-2-en-4-yl acetate
Wiley ID 1787582