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1-[(5aR,6S,9R,9aS)-3,6-dihydroxy-6-(hydroxymethyl)-1-methoxy-9-propan-2-yl-7,8,9,9a-tetrahydro-5aH-dibenzofuran-4-yl]ethanone

View entire compound with spectra: 1 MS (GC)

1-[(5aR,6S,9R,9aS)-3,6-dihydroxy-6-(hydroxymethyl)-1-methoxy-9-propan-2-yl-7,8,9,9a-tetrahydro-5aH-dibenzofuran-4-yl]ethanone
SpectraBase Compound ID Ig3HYAtUurm
InChI InChI=1S/C19H26O6/c1-9(2)11-5-6-19(23,8-20)18-15(11)16-13(24-4)7-12(22)14(10(3)21)17(16)25-18/h7,9,11,15,18,20,22-23H,5-6,8H2,1-4H3/t11-,15+,18-,19+/m1/s1
InChIKey RBZJTYZFSUKZFK-BZDSAALJSA-N
Mol Weight 350.41 g/mol
Molecular Formula C19H26O6
Exact Mass 350.172939 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 53D19IRYyFV
Name 1-[(5aR,6S,9R,9aS)-3,6-dihydroxy-6-(hydroxymethyl)-1-methoxy-9-propan-2-yl-7,8,9,9a-tetrahydro-5aH-dibenzofuran-4-yl]ethanone
Alternate Name(s) 1-[(5aR,6S,9R,9aS)-3,6-dihydroxy-6-(hydroxymethyl)-9-isopropyl-1-methoxy-7,8,9,9a-tetrahydro-5aH-dibenzofuran-4-yl]ethanone 1-[(5aR,6S,9R,9aS)-3,6-dihydroxy-9-isopropyl-1-methoxy-6-methylol-7,8,9,9a-tetrahydro-5aH-dibenzofuran-4-yl]ethanone 1-[(5aR,6S,9R,9aS)-6-(hydroxymethyl)-1-methoxy-3,6-bis(oxidanyl)-9-propan-2-yl-7,8,9,9a-tetrahydro-5aH-dibenzofuran-4-yl]ethanone
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H26O6
InChI InChI=1S/C19H26O6/c1-9(2)11-5-6-19(23,8-20)18-15(11)16-13(24-4)7-12(22)14(10(3)21)17(16)25-18/h7,9,11,15,18,20,22-23H,5-6,8H2,1-4H3/t11-,15+,18-,19+/m1/s1
InChIKey RBZJTYZFSUKZFK-BZDSAALJSA-N
Molecular Weight 350.411 g/mol
SMILES O[C@@]1(CO)[C@]2([C@](c3c(O2)c(C(=O)C)c(cc3OC)O)([C@](CC1)(C(C)C)[H])[H])[H]
SPLASH splash10-014i-0009000000-44c65c7ef1db91b6b676
Source of Spectrum F-68-1224-28
Wiley ID 1571806