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(8E,13Z,18R,20Z)-Strobilinin acetate

View entire compound with spectra: 1 MS (GC)

(8E,13Z,18R,20Z)-Strobilinin acetate
SpectraBase Compound ID 3sYKRaMVKYW
InChI InChI=1S/C27H36O5/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/h10-11,15-18,21H,6-9,12-14H2,1-5H3/b19-11-,20-10+,25-17-/t21-/m1/s1
InChIKey CEERGVZXRWIDAD-BJCOZEAZSA-N
Mol Weight 440.6 g/mol
Molecular Formula C27H36O5
Exact Mass 440.256274 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID I1QkSEDHq3Z
Name (8E,13Z,18R,20Z)-Strobilinin acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H36O5
InChI InChI=1S/C27H36O5/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/h10-11,15-18,21H,6-9,12-14H2,1-5H3/b19-11-,20-10+,25-17-/t21-/m1/s1
InChIKey CEERGVZXRWIDAD-BJCOZEAZSA-N
Molecular Weight 440.580 g/mol
SMILES C1(=C(\C(=C\[C@@](CC\C=C/(CC\C=C\(CCCc2cocc2)C)C)(C)[H])OC1=O)OC(=O)C)C
SPLASH splash10-0540-9810100000-206c8e825487c3f8d908
Source of Spectrum E1-45-184-3
Wiley ID 1553732