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Genipin
SpectraBase Compound ID 5C2Xv8MKTaL
InChI InChI=1S/C11H14O5/c1-15-10(13)8-5-16-11(14)9-6(4-12)2-3-7(8)9/h2,5,7,9,11-12,14H,3-4H2,1H3
InChIKey AZKVWQKMDGGDSV-UHFFFAOYSA-N
Mol Weight 226.23 g/mol
Molecular Formula C11H14O5
Exact Mass 226.084124 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2ehYbza9mi
Name Cyclopenta[c]pyran-4-carboxylic acid, 1,4a,5,7a-tetrahydro-1-hydroxy-7-(hydroxymethyl)-, methyl ester, [1R-(1.alpha.,4a.alpha.,7a.alpha.)]-
CAS Registry Number 6902-77-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H14O5
InChI InChI=1S/C11H14O5/c1-15-10(13)8-5-16-11(14)9-6(4-12)2-3-7(8)9/h2,5,7,9,11-12,14H,3-4H2,1H3
InChIKey AZKVWQKMDGGDSV-UHFFFAOYSA-N
Molecular Weight 226.228 g/mol
SMILES OCC=1C2C(C(=COC2O)C(OC)=O)CC1
SPLASH splash10-004j-9500000000-f08ac93ba34d141991e9
Source of Spectrum T-67-2147-0
Synonyms Methyl 1-hydroxy-7-(hydroxymethyl)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate 1-Hydroxy-7-(hydroxymethyl)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylic acid methyl ester 1-Hydroxy-7-methylol-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylic acid methyl ester Cyclopenta[c]pyran-4-carboxylic acid, 1,4a.alpha.,5,7a.alpha.-tetrahydro-1-hydroxy-7-(hydroxymethyl)-, methyl ester Genipin Methyl 7-(hydroxymethyl)-1-oxidanyl-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate
Wiley ID 29886