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(3R,4S,4aS,8aR)-3,4-O-Isopropylidene-3,4-dihydroxy-3,4,4a,5,8,8a-hexahydro-1(2H)-naphthalenone
SpectraBase Compound ID DawqUJhnFhB
InChI InChI=1S/C13H18O3/c1-13(2)15-11-7-10(14)8-5-3-4-6-9(8)12(11)16-13/h3-4,8-9,11-12H,5-7H2,1-2H3/t8-,9+,11-,12+/m1/s1
InChIKey YIUDXTAWSCUIGR-DMWPJOQESA-N
Mol Weight 222.28 g/mol
Molecular Formula C13H18O3
Exact Mass 222.125594 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5RpcgVZr0Eh
Name (3R,4S,4aS,8aR)-3,4-O-Isopropylidene-3,4-dihydroxy-3,4,4a,5,8,8a-hexahydro-1(2H)-naphthalenone
CAS Registry Number 130193-07-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H18O3
InChI InChI=1S/C13H18O3/c1-13(2)15-11-7-10(14)8-5-3-4-6-9(8)12(11)16-13/h3-4,8-9,11-12H,5-7H2,1-2H3/t8-,9+,11-,12+/m1/s1
InChIKey YIUDXTAWSCUIGR-DMWPJOQESA-N
Molecular Weight 222.284 g/mol
SMILES [C@]12([C@](OC(O2)(C)C)(CC([C@]2([C@@]1(CC=CC2)[H])[H])=O)[H])[H]
SPLASH splash10-05ot-4920000000-249d3ff38a2df65157d7
Source of Spectrum J-56-392-26
Synonyms (3aR,5aR,9aS,9bS)-2,2-dimethyl-3a,5a,6,9,9a,9b-hexahydronaphtho[1,2-d][1,3]dioxol-5(4H)-one
Wiley ID 1222646