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5,15-Dioxatricyclo(12.3.1.0(sup 4,6))octadec-9-en-16-one, 13-hydroxy-4,9,13-trimethyl-17-methylene-, (1R-(1R*,4S*,6S*,9E,13S*,14R*))-

View entire compound with spectra: 2 MS (GC)

5,15-Dioxatricyclo(12.3.1.0(sup 4,6))octadec-9-en-16-one, 13-hydroxy-4,9,13-trimethyl-17-methylene-, (1R-(1R*,4S*,6S*,9E,13S*,14R*))-
SpectraBase Compound ID HHvuzLZ8C9e
InChI InChI=1S/C20H30O4/c1-13-6-5-10-19(3,22)17-12-15(14(2)18(21)23-17)9-11-20(4)16(24-20)8-7-13/h6,15-17,22H,2,5,7-12H2,1,3-4H3/b13-6-
InChIKey YKKJETNBRNDYKN-MLPAPPSSSA-N
Mol Weight 334.46 g/mol
Molecular Formula C20H30O4
Exact Mass 334.214409 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HL98KtTsPwt
Name Flexibilide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H30O4
InChI InChI=1S/C20H30O4/c1-13-6-5-10-19(3,22)17-12-15(14(2)18(21)23-17)9-11-20(4)16(24-20)8-7-13/h6,15-17,22H,2,5,7-12H2,1,3-4H3/b13-6-
InChIKey YKKJETNBRNDYKN-MLPAPPSSSA-N
Ionization Type EI-B
Molecular Weight 334.456 g/mol
SMILES OC1(C2CC(CCC3(C(CC\C(C)=C/CC1)O3)C)C(=C)C(O2)=O)C
SPLASH splash10-052f-9500000000-7f8f2980ed9c9abb1d8d
Source of Spectrum SRH-2022-10663-0
Wiley ID 1832275