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ISOSTEGNANE
SpectraBase Compound ID 173NYMLkXfC
InChI InChI=1S/C22H22O7/c1-24-18-7-12-5-15-13(9-27-22(15)23)4-11-6-16-17(29-10-28-16)8-14(11)19(12)21(26-3)20(18)25-2/h6-8,13,15H,4-5,9-10H2,1-3H3/t13-,15+/m0/s1
InChIKey YIIRKVZAEAXDAD-DZGCQCFKSA-N
Mol Weight 398.41 g/mol
Molecular Formula C22H22O7
Exact Mass 398.136553 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Hljgig6ehlK
Name trans-6-(Hydroxymethyl)-10,11,12-trimethoxy-2,3-methylenedioxydibenzo[1a,4a:8a,12a]cyclooctadiene-7-carboxylic acid lactone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H22O7
InChI InChI=1S/C22H22O7/c1-24-18-7-12-5-15-13(9-27-22(15)23)4-11-6-16-17(29-10-28-16)8-14(11)19(12)21(26-3)20(18)25-2/h6-8,13,15H,4-5,9-10H2,1-3H3/t13-,15+/m0/s1
InChIKey YIIRKVZAEAXDAD-DZGCQCFKSA-N
Molecular Weight 398.411 g/mol
SMILES c12-c3c(c(OC)c(cc3C[C@@]3([C@@](Cc1cc1c(c2)OCO1)(COC3=O)[H])[H])OC)OC
SPLASH splash10-0002-0009000000-e34e6d14702c5910f4ac
Source of Spectrum KC-57-4021-7
Wiley ID 1623981