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rel-(3R,3aS,8R,9S,9aS,9bS)-3a,4,5,7,8,9,9a,9b-Octahydro-8-hydroxy-6-(hydroxymethyl)-3,9-dimethylazuleno[4,5-b]furan-2(3H)-one

View entire compound with spectra: 1 MS (GC)

rel-(3R,3aS,8R,9S,9aS,9bS)-3a,4,5,7,8,9,9a,9b-Octahydro-8-hydroxy-6-(hydroxymethyl)-3,9-dimethylazuleno[4,5-b]furan-2(3H)-one
SpectraBase Compound ID 52R8GQ9UeB0
InChI InChI=1S/C15H22O4/c1-7-10-4-3-9(6-16)11-5-12(17)8(2)13(11)14(10)19-15(7)18/h7-8,10,12-14,16-17H,3-6H2,1-2H3/t7-,8-,10+,12-,13+,14+/m1/s1
InChIKey UGBHLGXQNHUOHV-BWRGGBIOSA-N
Mol Weight 266.34 g/mol
Molecular Formula C15H22O4
Exact Mass 266.151809 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4ICMMCrfH4P
Name rel-(3R,3aS,8R,9S,9aS,9bS)-3a,4,5,7,8,9,9a,9b-Octahydro-8-hydroxy-6-(hydroxymethyl)-3,9-dimethylazuleno[4,5-b]furan-2(3H)-one
Alternate Name(s) (3-alpha,4-alpha,6-alpha,11-beta)-3-Hydroxyguai-1(10)-eno-12,6-lactone (3R,3aS,8R,9S,9aS,9bS)-8-hydroxy-6-(hydroxymethyl)-3,9-dimethyl-3a,4,5,7,8,9,9a,9b-octahydroazuleno[4,5-b]furan-2(3H)-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H22O4
InChI InChI=1S/C15H22O4/c1-7-10-4-3-9(6-16)11-5-12(17)8(2)13(11)14(10)19-15(7)18/h7-8,10,12-14,16-17H,3-6H2,1-2H3/t7-,8-,10+,12-,13+,14+/m1/s1
InChIKey UGBHLGXQNHUOHV-BWRGGBIOSA-N
Molecular Weight 266.337 g/mol
SMILES OCC1=C2C[C@]([C@]([C@@]2([C@@]2([C@@](CC1)([C@](C(O2)=O)(C)[H])[H])[H])[H])(C)[H])(O)[H]
SPLASH splash10-01r2-0690000000-3f8c7a48c0f0e6d72071
Source of Spectrum H-93-1348-2
Wiley ID 1783978