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(3aS,6R,6aR,9aS,9bR)-3,3a,4,5,6,6a,7,8,9a,9b-Decahydro-6a-hydroxy-6-(hydroxymethyl)-9a-methyl-3-methyleneazuleno[4,5-b]furan-2,9-dione

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(3aS,6R,6aR,9aS,9bR)-3,3a,4,5,6,6a,7,8,9a,9b-Decahydro-6a-hydroxy-6-(hydroxymethyl)-9a-methyl-3-methyleneazuleno[4,5-b]furan-2,9-dione
SpectraBase Compound ID F7aO5cmMgQF
InChI InChI=1S/C15H20O5/c1-8-10-4-3-9(7-16)15(19)6-5-11(17)14(15,2)12(10)20-13(8)18/h9-10,12,16,19H,1,3-7H2,2H3/t9-,10+,12-,14+,15-/m1/s1
InChIKey BKYFDDRKMONYMN-UCTJBKIYSA-N
Mol Weight 280.32 g/mol
Molecular Formula C15H20O5
Exact Mass 280.131074 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2Wzq7vxUcvp
Name (3aS,6R,6aR,9aS,9bR)-3,3a,4,5,6,6a,7,8,9a,9b-Decahydro-6a-hydroxy-6-(hydroxymethyl)-9a-methyl-3-methyleneazuleno[4,5-b]furan-2,9-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H20O5
InChI InChI=1S/C15H20O5/c1-8-10-4-3-9(7-16)15(19)6-5-11(17)14(15,2)12(10)20-13(8)18/h9-10,12,16,19H,1,3-7H2,2H3/t9-,10+,12-,14+,15-/m1/s1
InChIKey BKYFDDRKMONYMN-UCTJBKIYSA-N
Literature Reference DOI 10.1002/hlca.200690032
Molecular Weight 280.320 g/mol
SMILES O[C@@]12CCC([C@]1([C@@]1(OC(C([C@@]1(CC[C@@]2(CO)[H])[H])=C)=O)[H])C)=O
SPLASH splash10-052b-9410000000-c28ad9a37c7e19679a47
Source of Spectrum H-89-289-3
Synonyms Deacetyltetraneurin A (3aS,6R,6aR,9aS,9bR)-6a-hydroxy-6-(hydroxymethyl)-9a-methyl-3-methylenedecahydroazuleno[4,5-b]furan-2,9-dione
Wiley ID 1785685