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(2S,2aR,4aR,5R,6R,7aS,7bS)-5-[(3E)-4,8-Dimethyl-3,7-nonadienyl]-2a,3,4,4a,5,6,7a,7b-octahydro-2H-1,7-dioxacyclopenta[c,d]indene-2,6-diol diacetate

View entire compound with spectra: 1 MS (GC)

(2S,2aR,4aR,5R,6R,7aS,7bS)-5-[(3E)-4,8-Dimethyl-3,7-nonadienyl]-2a,3,4,4a,5,6,7a,7b-octahydro-2H-1,7-dioxacyclopenta[c,d]indene-2,6-diol diacetate
SpectraBase Compound ID DilCIT2z7Dm
InChI InChI=1S/C24H36O6/c1-14(2)8-6-9-15(3)10-7-11-19-18-12-13-20-21(18)24(29-22(19)27-16(4)25)30-23(20)28-17(5)26/h8,10,18-24H,6-7,9,11-13H2,1-5H3/b15-10+/t18-,19-,20-,21+,22+,23-,24-/m1/s1
InChIKey QXERFTWSGHVLIY-CCOSIPEZSA-N
Mol Weight 420.5 g/mol
Molecular Formula C24H36O6
Exact Mass 420.251189 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LfiTHpTF8Ii
Name (2S,2aR,4aR,5R,6R,7aS,7bS)-5-[(3E)-4,8-Dimethyl-3,7-nonadienyl]-2a,3,4,4a,5,6,7a,7b-octahydro-2H-1,7-dioxacyclopenta[c,d]indene-2,6-diol diacetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H36O6
InChI InChI=1S/C24H36O6/c1-14(2)8-6-9-15(3)10-7-11-19-18-12-13-20-21(18)24(29-22(19)27-16(4)25)30-23(20)28-17(5)26/h8,10,18-24H,6-7,9,11-13H2,1-5H3/b15-10+/t18-,19-,20-,21+,22+,23-,24-/m1/s1
InChIKey QXERFTWSGHVLIY-CCOSIPEZSA-N
Molecular Weight 420.546 g/mol
SMILES [C@@]12(O[C@@](OC(=O)C)([C@]3([C@@]2([C@@]([C@@](CC\C=C\(CCC=C(C)C)C)([C@](O1)(OC(=O)C)[H])[H])(CC3)[H])[H])[H])[H])[H]
SPLASH splash10-066r-9511000000-f6c040360115619803f2
Source of Spectrum F-49-10574-34
Synonyms (2S,2aR,4aR,5R,6R,7aR,7bS)-5-[(3E)-4,8-Dimethyl-3,7-nonadienyl]-2a,3,4,4a,5,6,7a,7b-octahydro-2H-1,7-dioxacyclopenta[c,d]indene-2,6-diol diacetate (2S,2aR,4aR,5R,6R,7aS,7bS)-2-(acetyloxy)-5-[(3E)-4,8-dimethyl-3,7-nonadienyl]octahydro-2H-1,7-dioxacyclopenta[cd]inden-6-yl acetate
Wiley ID 788950