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Isocopalic acid 2,3-diacetoxypropyl ester
SpectraBase Compound ID FMkU4jmCYW
InChI InChI=1S/C27H42O6/c1-17-9-10-22-26(6)13-8-12-25(4,5)21(26)11-14-27(22,7)23(17)24(30)32-16-20(33-19(3)29)15-31-18(2)28/h9,20-23H,8,10-16H2,1-7H3/t20-,21?,22-,23+,26+,27-/m0/s1
InChIKey GSRDGCVEZIQWLC-FLRJTYENSA-N
Mol Weight 462.6 g/mol
Molecular Formula C27H42O6
Exact Mass 462.298139 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5EDovAplSQ5
Name Isocopalic acid 2,3-diacetoxypropyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H42O6
InChI InChI=1S/C27H42O6/c1-17-9-10-22-26(6)13-8-12-25(4,5)21(26)11-14-27(22,7)23(17)24(30)32-16-20(33-19(3)29)15-31-18(2)28/h9,20-23H,8,10-16H2,1-7H3/t20-,21?,22-,23+,26+,27-/m0/s1
InChIKey GSRDGCVEZIQWLC-FLRJTYENSA-N
Molecular Weight 462.627 g/mol
SMILES [C@]12([C@]([C@]3(C(C(CCC3)(C)C)CC1)C)(CC=C([C@@]2(C(OC[C@@](OC(=O)C)(COC(=O)C)[H])=O)[H])C)[H])C
SPLASH splash10-056u-0920000000-8d5949e5fb6cf0932eaa
Source of Spectrum F-56-2510-2
Wiley ID 856615