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rac-methyl (7'.beta.,8'.beta.)-3',4',5'-trimethoxy-3,4-methylenedioxy-2,7'-cyclo-9-norlignan-9'-oate]
SpectraBase Compound ID JHq7zZw41Bo
InChI InChI=1S/C22H24O7/c1-24-16-9-13(10-17(25-2)20(16)26-3)18-14(22(23)27-4)7-5-12-6-8-15-21(19(12)18)29-11-28-15/h6,8-10,14,18H,5,7,11H2,1-4H3/t14-,18-/m0/s1
InChIKey WFKLQDAWZRGWFK-KSSFIOAISA-N
Mol Weight 400.43 g/mol
Molecular Formula C22H24O7
Exact Mass 400.152203 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Le1cy0ayHAr
Name rac-methyl (7'.beta.,8'.beta.)-3',4',5'-trimethoxy-3,4-methylenedioxy-2,7'-cyclo-9-norlignan-9'-oate]
CAS Registry Number 82792-92-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H24O7
InChI InChI=1S/C22H24O7/c1-24-16-9-13(10-17(25-2)20(16)26-3)18-14(22(23)27-4)7-5-12-6-8-15-21(19(12)18)29-11-28-15/h6,8-10,14,18H,5,7,11H2,1-4H3/t14-,18-/m0/s1
InChIKey WFKLQDAWZRGWFK-KSSFIOAISA-N
Molecular Weight 400.427 g/mol
SMILES [C@@]1(c2c3c(OCO3)ccc2CC[C@@]1(C(=O)OC)[H])(c1cc(OC)c(c(c1)OC)OC)[H]
SPLASH splash10-0ul3-0868900000-ad1f6f97c660db23ee74
Source of Spectrum B-41-918-61
Synonyms Methyl (8S,9R)-9-(3,4,5-trimethoxyphenyl)-6,7,8,9-tetrahydronaphtho[1,2-d][1,3]dioxole-8-carboxylate
Wiley ID 1369397