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(3aS,4S,9aS,9bR)-2,2-dimethyloctahydro-3aH-4,9a-ethanonaphtho[1,2-d][1,3]dioxol-7-yl benzoate
SpectraBase Compound ID IBPvqulQvON
InChI InChI=1S/C22H28O4/c1-21(2)25-18-15-8-10-22(19(18)26-21)11-9-17(13-16(22)12-15)24-20(23)14-6-4-3-5-7-14/h3-7,15-19H,8-13H2,1-2H3/t15-,16-,17?,18-,19-,22-/m1/s1
InChIKey YHGCXAJNBGDFNJ-QRCKAUBTSA-N
Mol Weight 356.46 g/mol
Molecular Formula C22H28O4
Exact Mass 356.198759 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1qAVEWx8F5h
Name (3aS,4S,9aS,9bR)-2,2-dimethyloctahydro-3aH-4,9a-ethanonaphtho[1,2-d][1,3]dioxol-7-yl benzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H28O4
InChI InChI=1S/C22H28O4/c1-21(2)25-18-15-8-10-22(19(18)26-21)11-9-17(13-16(22)12-15)24-20(23)14-6-4-3-5-7-14/h3-7,15-19H,8-13H2,1-2H3/t15-,16-,17?,18-,19-,22-/m1/s1
InChIKey YHGCXAJNBGDFNJ-QRCKAUBTSA-N
Literature Reference DOI 10.1021/ol801647h
Molecular Weight 356.462 g/mol
SMILES C1(C)(O[C@@]2([C@@]([C@@]3(CC[C@@]22[C@](C3)(CC(CC2)OC(=O)c2ccccc2)[H])[H])(O1)[H])[H])C
SPLASH splash10-052f-3916000000-d98a4b13fbfe31ef8899
Source of Spectrum A1-10-4465/SMS16-17
Wiley ID 1759815