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2H-1-Benzopyran-5-propanoic acid, octahydro-6,8a-dihydroxy-5,6-dimethyl-, methyl ester, [4aS-(4a.alpha.,5.alpha.,6.beta.,8a.alpha.)]-
SpectraBase Compound ID 2El9zE2qMwB
InChI InChI=1S/C15H26O5/c1-13(7-6-12(16)19-3)11-5-4-10-20-15(11,18)9-8-14(13,2)17/h11,17-18H,4-10H2,1-3H3/t11-,13?,14+,15+/m0/s1
InChIKey AURKMPNKVIKCKZ-CQFAYMELSA-N
Mol Weight 286.37 g/mol
Molecular Formula C15H26O5
Exact Mass 286.178024 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LvpOQeHnIK2
Name 2H-1-Benzopyran-5-propanoic acid, octahydro-6,8a-dihydroxy-5,6-dimethyl-, methyl ester, [4aS-(4a.alpha.,5.alpha.,6.beta.,8a.alpha.)]-
CAS Registry Number 124715-95-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H26O5
InChI InChI=1S/C15H26O5/c1-13(7-6-12(16)19-3)11-5-4-10-20-15(11,18)9-8-14(13,2)17/h11,17-18H,4-10H2,1-3H3/t11-,13?,14+,15+/m0/s1
InChIKey AURKMPNKVIKCKZ-CQFAYMELSA-N
Molecular Weight 286.368 g/mol
SMILES O[C@@]12[C@](C([C@@](CC2)(O)C)(CCC(=O)OC)C)(CCCO1)[H]
SPLASH splash10-000x-9500000000-d8c9589380216045a00a
Source of Spectrum H-72-294-10
Synonyms Methyl (+)-(4aS,5S,6S,8aR)-3,4,4q,5,6,7,8,8a-octahydro-6,8a-dihydroxy-5,6-dimethyl-2H-benzo[b]pyran-5-propanoate Methyl (+)-(4aS,5S,6S,8aR)-3,4,4q,5,6,7,8,8a-octahydro-6,8a-dihydroxy-5,6-dimethyl-2H-benzo[b]pyran-5-propanoete Methyl 3-[(4aS,6R,8aR)-6,8a-dihydroxy-5,6-dimethyloctahydro-2H-chromen-5-yl]propanoate
Wiley ID 1289720