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4,4a,5,6,7,7a.alpha.,8,9-octahydro-5.beta.,9.beta.-dihydroxy-4a.beta.,8.alpha.-dimethylazuleno[6,5-b]furan-3-carboxylic Acid Methyl Ester
SpectraBase Compound ID Cj3OVqRfRPp
InChI InChI=1S/C16H22O5/c1-7-9-4-5-12-11(6-10(9)15(18)14(7)17)13(8(2)21-12)16(19)20-3/h7,9-10,14-15,17-18H,4-6H2,1-3H3/t7?,9?,10-,14?,15+/m1/s1
InChIKey CCMPIHFGDIYOKR-ROJOPHKRSA-N
Mol Weight 294.35 g/mol
Molecular Formula C16H22O5
Exact Mass 294.146724 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EV6jXz19FVm
Name 4,4a,5,6,7,7a.alpha.,8,9-octahydro-5.beta.,9.beta.-dihydroxy-4a.beta.,8.alpha.-dimethylazuleno[6,5-b]furan-3-carboxylic Acid Methyl Ester
Alternate Name(s) Methyl (4aR,5S)-5,6-dihydroxy-2,7-dimethyl-4,4a,5,6,7,7a,8,9-octahydroazuleno[6,5-b]furan-3-carboxylate
CAS Registry Number 99783-64-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H22O5
InChI InChI=1S/C16H22O5/c1-7-9-4-5-12-11(6-10(9)15(18)14(7)17)13(8(2)21-12)16(19)20-3/h7,9-10,14-15,17-18H,4-6H2,1-3H3/t7?,9?,10-,14?,15+/m1/s1
InChIKey CCMPIHFGDIYOKR-ROJOPHKRSA-N
Molecular Weight 294.347 g/mol
SMILES OC1C(C2CCc3oc(c(c3C[C@]2([C@@]1(O)[H])[H])C(=O)OC)C)C
SPLASH splash10-0a4i-0970000000-085aaaa9dd7e28091670
Source of Spectrum C-108-1063-27
Wiley ID 1297130