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(+/-)-(2AS,3R,5S,5AR,8AS,8BR)-5,5A-DIHYDROXY-7,7-DIMETHYL-2-OXOPERHYDROBENZO-[CD]-ISOBENZOFURAN-3-CARBOXYLIC-ACID
SpectraBase Compound ID 9xdsZcyasje
InChI InChI=1S/C14H20O6/c1-13(2)4-7-10-9(12(18)20-7)6(11(16)17)3-8(15)14(10,19)5-13/h6-10,15,19H,3-5H2,1-2H3,(H,16,17)/t6-,7+,8-,9-,10-,14-/m1/s1
InChIKey BMQPZDQWQALWHT-ZTTPBWPISA-N
Mol Weight 284.31 g/mol
Molecular Formula C14H20O6
Exact Mass 284.125988 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G5FIlCzOCVr
Name (2aS,3R,5R,5aS,,8aS,8bS)-7,7-Dimethyl-5,5a-dihydroxy-2-oxoperhydrobenzo[cd]isobenzofuran-3-carboxylic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H20O6
InChI InChI=1S/C14H20O6/c1-13(2)4-7-10-9(12(18)20-7)6(11(16)17)3-8(15)14(10,19)5-13/h6-10,15,19H,3-5H2,1-2H3,(H,16,17)/t6-,7+,8-,9-,10-,14-/m1/s1
InChIKey BMQPZDQWQALWHT-ZTTPBWPISA-N
Molecular Weight 284.308 g/mol
SMILES O[C@@]1(C[C@]([C@@]2([C@@]3([C@]1(CC(C[C@@]3(OC2=O)[H])(C)C)O)[H])[H])(C(=O)O)[H])[H]
SPLASH splash10-002u-2690000000-890343b7df498dd006e0
Source of Spectrum B-53-409-10
Synonyms (2aS,3R,5R,5aS,8aS,8bS)-5,5a-dihydroxy-7,7-dimethyl-2-oxodecahydro-2H-naphtho[1,8-bc]furan-3-carboxylic acid (2aS,3R,5S,5aR,,8aS,8bR)-7,7-Dimethyl-5,5a-dihydroxy-2-oxoperhydrobenzo[cd]isobenzofuran-3-carboxylic acid
Wiley ID 747020