CHEBI:175685 - Vanillin 3-(L-menthoxy)propane-1,2-diol acetal

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Vanillin 3-(L-menthoxy)propane-1,2-diol acetal
ChEBI ID CHEBI:175685
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C21H32O5
Net Charge 0
Average Mass 364.482
Monoisotopic Mass 364.22497
InChI InChI=1S/C21H32O5/c1-13(2)17-7-5-14(3)9-19(17)24-11-16-12-25-21(26-16)15-6-8-18(22)20(10-15)23-4/h6,8,10,13-14,16-17,19,21-22H,5,7,9,11-12H2,1-4H3/t14-,16?,17+,19-,21?/m1/s1
InChIKey ZOGKSXQLOOQXFG-LTKHDUQWSA-N
SMILES O([C@H]1[C@@H](CC[C@H](C1)C)C(C)C)CC2OC(OC2)C3=CC(OC)=C(O)C=C3
ChEBI Ontology
Outgoing Vanillin 3-(L-menthoxy)propane-1,2-diol acetal (CHEBI:175685) is a monoterpenoid (CHEBI:25409)
IUPAC Name
2-methoxy-4-[4-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxymethyl]-1,3-dioxolan-2-yl]phenol
Manual Xref Database
8144654 ChemSpider
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Registry Number Type Source
207844-03-9 CAS Registry Number ChemIDplus