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(3R,4R,4AR,6R)-4,8-DIHYDROXY-6,7-EPOXY-3,4,4A,5,6,7,8,8A-OCTAHYDRO-3-METHYL-1H-2-BENZOPYRAN-1-ONE
SpectraBase Compound ID BovtPRohtP1
InChI InChI=1S/C10H12O5/c1-3-7(11)4-2-5-9(15-5)8(12)6(4)10(13)14-3/h3-5,7,9,11-12H,2H2,1H3/t3-,4-,5-,7+,9-/m1/s1
InChIKey PSMJJNXPBGDPGR-CLJZAVLPSA-N
Mol Weight 212.2 g/mol
Molecular Formula C10H12O5
Exact Mass 212.068473 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6a2ozTlh5u6
Name (3R,4R,4aR,6R,7R)-4,8-Dihydroxy-3-methyl-6,7-epoxy-3,4,4a,5,6,7-hexahydro-1H-[2]-benzopyran-1-one
Alternate Name(s) (1aR,5R,6R,6aR,7aR)-2,6-dihydroxy-5-methyl-1a,5,6,6a,7,7a-hexahydro-3H-oxireno[2,3-g][2]benzopyran-3-one 4,8-Dihydroxy-3-methyl-6,7-epoxy-3,4,4a,5,6,7-hexahydro-1H-[2]-benzopyran-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H12O5
InChI InChI=1S/C10H12O5/c1-3-7(11)4-2-5-9(15-5)8(12)6(4)10(13)14-3/h3-5,7,9,11-12H,2H2,1H3/t3-,4-,5-,7+,9-/m1/s1
InChIKey PSMJJNXPBGDPGR-CLJZAVLPSA-N
Molecular Weight 212.201 g/mol
SMILES O[C@]1([C@](OC(C=2[C@]1(C[C@]1(O[C@]1(C2O)[H])[H])[H])=O)(C)[H])[H]
SPLASH splash10-000j-0910000000-eec8e46c943db3ee397a
Source of Spectrum G4-58-1765-7
Wiley ID 1606059