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3-O-(Z,E)-2,4-Decadienoylingenol
SpectraBase Compound ID BuHEu2EV9xs
InChI InChI=1S/C30H42O6/c1-6-7-8-9-10-11-12-13-23(32)36-27-18(2)16-29-19(3)14-22-24(28(22,4)5)21(26(29)34)15-20(17-31)25(33)30(27,29)35/h10-13,15-16,19,21-22,24-25,27,31,33,35H,6-9,14,17H2,1-5H3/b11-10+,13-12-/t19-,21+,22-,24+,25-,27+,29+,30+/m1/s1
InChIKey XMXZQPNIMGCMHC-HFORNULFSA-N
Mol Weight 498.7 g/mol
Molecular Formula C30H42O6
Exact Mass 498.298139 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HJIxfUZ7TEI
Name 3-O-(Z,E)-2,4-Decadienoylingenol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H42O6
InChI InChI=1S/C30H42O6/c1-6-7-8-9-10-11-12-13-23(32)36-27-18(2)16-29-19(3)14-22-24(28(22,4)5)21(26(29)34)15-20(17-31)25(33)30(27,29)35/h10-13,15-16,19,21-22,24-25,27,31,33,35H,6-9,14,17H2,1-5H3/b11-10+,13-12-/t19-,21+,22-,24+,25-,27+,29+,30+/m1/s1
InChIKey XMXZQPNIMGCMHC-HFORNULFSA-N
Molecular Weight 498.660 g/mol
SMILES O[C@]12[C@@]3(C([C@@](C=C([C@]2(O)[H])CO)([C@]2([C@@](C[C@]3(C)[H])(C2(C)C)[H])[H])[H])=O)C=C([C@@]1(OC(\C=C/C=C/CCCCC)=O)[H])C
SPLASH splash10-0udi-0900000000-f411107fa0021e93f672
Source of Spectrum APC-315-1031-3a
Synonyms (1aR,2S,5R,5aS,6S,8aS,9R,10aR)-5,5a-dihydroxy-4-(hydroxymethyl)-1,1,7,9-tetramethyl-11-oxo-1a,2,5,5a,6,9,10,10a-octahydro-1H-2,8a-methanocyclopenta[a]cyclopropa[e][10]annulen-6-yl (2Z,4E)-deca-2,4-dienoate
Wiley ID 1787995