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Cyclopenta[c]pyran-4-carboxylic acid, 1,4a,5,6,7,7a-hexahydro-6-hydroxy-1-methoxy-7-methyl-, methyl ester, [1R-(1.alpha.,4a.alpha.,6.alpha.,7.alpha.,7a.alpha.)]-
SpectraBase Compound ID 1FIkoxVNcwr
InChI InChI=1S/C12H18O5/c1-6-9(13)4-7-8(11(14)15-2)5-17-12(16-3)10(6)7/h5-7,9-10,12-13H,4H2,1-3H3/t6-,7+,9-,10+,12+/m0/s1
InChIKey PFBHTYXAPARNAL-XEVLOLMWSA-N
Mol Weight 242.27 g/mol
Molecular Formula C12H18O5
Exact Mass 242.115424 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GuSUtc5Z8qS
Name Cyclopenta[c]pyran-4-carboxylic acid, 1,4a,5,6,7,7a-hexahydro-6-hydroxy-1-methoxy-7-methyl-, methyl ester, [1R-(1.alpha.,4a.alpha.,6.alpha.,7.alpha.,7a.alpha.)]-
Alternate Name(s) (-)1-.beta.-O-Methyl logani aglucone Loganin aglucone O-methyl ether Methyl (1R,4aS,6S,7R,7aS)-6-hydroxy-1-methoxy-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate
CAS Registry Number 68736-83-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H18O5
InChI InChI=1S/C12H18O5/c1-6-9(13)4-7-8(11(14)15-2)5-17-12(16-3)10(6)7/h5-7,9-10,12-13H,4H2,1-3H3/t6-,7+,9-,10+,12+/m0/s1
InChIKey PFBHTYXAPARNAL-XEVLOLMWSA-N
Molecular Weight 242.271 g/mol
SMILES O[C@]1(C[C@@]2(C(=CO[C@@](OC)([C@@]2([C@]1(C)[H])[H])[H])C(=O)OC)[H])[H]
SPLASH splash10-000i-9210000000-e34446cdd554c957f406
Source of Spectrum EP-6308-0-0
Wiley ID 1244829