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(Z)-24-Acetoxy-2,3-dihydro-neomanoalide
SpectraBase Compound ID mH7PulUPmu
InChI InChI=1S/C27H42O5/c1-19(11-13-24-20(2)9-7-15-27(24,4)5)8-6-10-22(17-28)12-14-25-23(16-26(30)32-25)18-31-21(3)29/h8,12,23,25,28H,6-7,9-11,13-18H2,1-5H3/b19-8+,22-12-
InChIKey AEMIGGGCSCGRHD-QLHXWLSUSA-N
Mol Weight 446.6 g/mol
Molecular Formula C27H42O5
Exact Mass 446.303224 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID hqVtASNdPF
Name (Z)-24-Acetoxy-2,3-dihydro-neomanoalide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H42O5
InChI InChI=1S/C27H42O5/c1-19(11-13-24-20(2)9-7-15-27(24,4)5)8-6-10-22(17-28)12-14-25-23(16-26(30)32-25)18-31-21(3)29/h8,12,23,25,28H,6-7,9-11,13-18H2,1-5H3/b19-8+,22-12-
InChIKey AEMIGGGCSCGRHD-QLHXWLSUSA-N
Molecular Weight 446.628 g/mol
SMILES OC\C(=C/CC1OC(=O)CC1COC(=O)C)CC\C=C\(CCC1=C(CCCC1(C)C)C)C
SPLASH splash10-000i-3910000000-a1cc19da968aba224382
Source of Spectrum X2-55-177-2
Wiley ID 1604363