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2(5H)-Furanone, 4-(acetyloxy)-5-[13-(3-furanyl)-2,6,10-trimethyl-6,8-tridecadienyl]-3-methyl-
SpectraBase Compound ID 9VU8Vaa4spF
InChI InChI=1S/C27H38O5/c1-19(9-6-10-20(2)12-8-14-24-15-16-30-18-24)11-7-13-21(3)17-25-26(31-23(5)28)22(4)27(29)32-25/h6,9-10,15-16,18,20-22H,7-8,11-14,17H2,1-5H3/b10-6+,19-9+
InChIKey IQSJMLOKMJDKSR-FPSOPFQPSA-N
Mol Weight 442.6 g/mol
Molecular Formula C27H38O5
Exact Mass 442.271924 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 63MwHYvp7xn
Name 2(5H)-Furanone, 4-(acetyloxy)-5-[13-(3-furanyl)-2,6,10-trimethyl-6,8-tridecadienyl]-3-methyl-
Alternate Name(s) 13-(fur-3-yl)-1-(3'-acetoxy-4'-methyl-5'-oxofura-2'-yl)-2,6,10-trimethyltrideca-6,8-diene 2-[(6E,8E)-13-(3-furyl)-2,6,10-trimethyl-6,8-tridecadienyl]-4-methyl-5-oxo-4,5-dihydro-3-furanyl acetate
CAS Registry Number 113994-73-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H38O5
InChI InChI=1S/C27H38O5/c1-19(9-6-10-20(2)12-8-14-24-15-16-30-18-24)11-7-13-21(3)17-25-26(31-23(5)28)22(4)27(29)32-25/h6,9-10,15-16,18,20-22H,7-8,11-14,17H2,1-5H3/b10-6+,19-9+
InChIKey IQSJMLOKMJDKSR-FPSOPFQPSA-N
Molecular Weight 442.596 g/mol
SMILES C1(=C(OC(C1C)=O)CC(CCC\C(=C\C=C\C(CCCc1cocc1)C)C)C)OC(=O)C
SPLASH splash10-000l-0930600000-7fa15d2041d6e0834e88
Source of Spectrum B-40-1329-3
Wiley ID 1385453