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3-O-methyltithonin
SpectraBase Compound ID 44DcfrQFwJn
InChI InChI=1S/C21H30O7/c1-6-12(2)18(23)27-16-10-20(11-22)7-8-21(25-5,28-20)13(3)9-15-17(16)14(4)19(24)26-15/h9,12,15-17,22H,4,6-8,10-11H2,1-3,5H3/b13-9-
InChIKey LEUUHZDDLPUPTN-LCYFTJDESA-N
Mol Weight 394.46 g/mol
Molecular Formula C21H30O7
Exact Mass 394.199153 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 502rDpyBotU
Name 6,9-Epoxycyclodeca[b]furan, butanoic acid deriv.
CAS Registry Number 106533-68-0
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H30O7
InChI InChI=1S/C21H30O7/c1-6-12(2)18(23)27-16-10-20(11-22)7-8-21(25-5,28-20)13(3)9-15-17(16)14(4)19(24)26-15/h9,12,15-17,22H,4,6-8,10-11H2,1-3,5H3/b13-9-
InChIKey LEUUHZDDLPUPTN-LCYFTJDESA-N
Molecular Weight 394.464 g/mol
SMILES OCC12CC(C3C(C(OC3\C=C/(C(O2)(CC1)OC)C)=O)=C)OC(=O)C(CC)C
SPLASH splash10-0a4i-9010000000-46603db2fc18a3398fff
Source of Spectrum KC-1986-2019-1
Synonyms Butanoic acid, 2-methyl-, 2,3,3a,4,5,6,7,8,9,11a-decahydro-6-(hydroxymethyl)-9-methoxy-10-methyl-3-methylene-2-oxo-6,9-epoxycyclodeca[b]furan-4-yl ester 11-(hydroxymethyl)-1-methoxy-2-methyl-7-methylene-6-oxo-5,14-dioxatricyclo[9.2.1.0(4,8)]tetradec-2-en-9-yl 2-methylbutanoate 3-O-methyltithonin
Wiley ID 1366612