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Spiro[1,3-dioxolane-2,1'-[1H]indene]-4'-carboxylic acid, octahydro-5'-(2-hydroxy-4-methoxyphenyl)-7'a-methyl-, methyl ester, (3'a.alpha.,4'.beta.,5'.beta.,7'a.beta.)-(.+-.)-
SpectraBase Compound ID 8IAsC6dqvyh
InChI InChI=1S/C21H28O6/c1-20-8-6-15(14-5-4-13(24-2)12-17(14)22)18(19(23)25-3)16(20)7-9-21(20)26-10-11-27-21/h4-5,12,15-16,18,22H,6-11H2,1-3H3/t15-,16+,18+,20+/m1/s1
InChIKey NQTRTFHIJOJFMZ-JMVFIXPQSA-N
Mol Weight 376.45 g/mol
Molecular Formula C21H28O6
Exact Mass 376.188589 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Dk76cpFEGAl
Name Spiro[1,3-dioxolane-2,1'-[1H]indene]-4'-carboxylic acid, octahydro-5'-(2-hydroxy-4-methoxyphenyl)-7'a-methyl-, methyl ester, (3'a.alpha.,4'.beta.,5'.beta.,7'a.beta.)-(.+-.)-
CAS Registry Number 127728-79-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H28O6
InChI InChI=1S/C21H28O6/c1-20-8-6-15(14-5-4-13(24-2)12-17(14)22)18(19(23)25-3)16(20)7-9-21(20)26-10-11-27-21/h4-5,12,15-16,18,22H,6-11H2,1-3H3/t15-,16+,18+,20+/m1/s1
InChIKey NQTRTFHIJOJFMZ-JMVFIXPQSA-N
Molecular Weight 376.449 g/mol
SMILES Oc1c([C@]2(CC[C@]3([C@]([C@]2(C(=O)OC)[H])(CCC32OCCO2)[H])C)[H])ccc(OC)c1
SPLASH splash10-000i-9525000000-31f4fd54c1169fee5c3b
Source of Spectrum B-42-1782-24
Synonyms Methyl (3'aS,4'S,5'S,7'aS)-5'-(2-hydroxy-4-methoxyphenyl)-7'a-methyl-octahydrospiro[1,3-dioxolane-2,1'-indene]-4'-carboxylate Methyl 1,1-ethylenedioxy-5-(2'-hydroxy-4'methoxyphenyl)-7a.beta.-methyl-2,3,3a.alpha.,4,5,6,7,7a-octahydro-1H-indene-4.XI.-carboxylate
Wiley ID 1357773