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4,6-decadienal, 8-ethyl-10-[4-hydroxy-8-(2-hydroxypropyl)-3,5,9-trimethyl-1, 7-dioxaspiro[5.5]undec-2-yl]-2-methyl-, [2R[2.alpha.(2S*,4E,6E,8S*),3.alpha.,4.alpha.,5.beta.,6.beta.[8R*(S*),9R*]]]-
SpectraBase Compound ID LY2y7JaILSd
InChI InChI=1S/C28H48O5/c1-7-24(12-10-8-9-11-19(2)18-29)13-14-25-22(5)27(31)23(6)28(32-25)16-15-20(3)26(33-28)17-21(4)30/h8-10,12,18-27,30-31H,7,11,13-17H2,1-6H3/b9-8+,12-10+/t19-,20-,21?,22+,23-,24+,25?,26?,27+,28-/m1/s1
InChIKey JAEYPLHJIVYPJW-ZMSDAWKPSA-N
Mol Weight 464.7 g/mol
Molecular Formula C28H48O5
Exact Mass 464.350175 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8f2CQo8dk9A
Name 4,6-decadienal, 8-ethyl-10-[4-hydroxy-8-(2-hydroxypropyl)-3,5,9-trimethyl-1, 7-dioxaspiro[5.5]undec-2-yl]-2-methyl-, [2R[2.alpha.(2S*,4E,6E,8S*),3.alpha.,4.alpha.,5.beta.,6.beta.[8R*(S*),9R*]]]-
CAS Registry Number 104335-78-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H48O5
InChI InChI=1S/C28H48O5/c1-7-24(12-10-8-9-11-19(2)18-29)13-14-25-22(5)27(31)23(6)28(32-25)16-15-20(3)26(33-28)17-21(4)30/h8-10,12,18-27,30-31H,7,11,13-17H2,1-6H3/b9-8+,12-10+/t19-,20-,21?,22+,23-,24+,25?,26?,27+,28-/m1/s1
InChIKey JAEYPLHJIVYPJW-ZMSDAWKPSA-N
Molecular Weight 464.687 g/mol
SMILES O[C@@]1([C@]([C@@]2(OC(CC(O)C)[C@@](CC2)(C)[H])OC([C@@]1(C)[H])CC[C@](\C=C\C=C\C[C@](C=O)(C)[H])(CC)[H])(C)[H])[H]
SPLASH splash10-001a-2910000000-270e8e276728408b2319
Source of Spectrum J-51-4269-12
Synonyms (2R,4E,6E,8R)-8-ethyl-10-[(3R,4S,5R,6S,9R)-4-hydroxy-8-(2-hydroxypropyl)-3,5,9-trimethyl-1,7-dioxaspiro[5.5]undec-2-yl]-2-methyl-4,6-decadienal
Wiley ID 1391599