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Benzoic acid (2S,4aS,5R,8aR)-5-acetoxymethyl-6-formyl-1,1,4a-trimethyl-1,2,3,4,4a,5,8,8a-octahydro-naphthalen-2-yl ester

View entire compound with spectra: 1 MS (GC)

Benzoic acid (2S,4aS,5R,8aR)-5-acetoxymethyl-6-formyl-1,1,4a-trimethyl-1,2,3,4,4a,5,8,8a-octahydro-naphthalen-2-yl ester
SpectraBase Compound ID BoK4hapFbeL
InChI InChI=1S/C24H30O5/c1-16(26)28-15-19-18(14-25)10-11-20-23(2,3)21(12-13-24(19,20)4)29-22(27)17-8-6-5-7-9-17/h5-10,14,19-21H,11-13,15H2,1-4H3/t19-,20-,21-,24+/m0/s1
InChIKey PHGYUZSQAAJLGL-IBPRQYQWSA-N
Mol Weight 398.5 g/mol
Molecular Formula C24H30O5
Exact Mass 398.209324 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8gVpJEjN58I
Name Benzoic acid (2S,4aS,5R,8aR)-5-acetoxymethyl-6-formyl-1,1,4a-trimethyl-1,2,3,4,4a,5,8,8a-octahydro-naphthalen-2-yl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H30O5
InChI InChI=1S/C24H30O5/c1-16(26)28-15-19-18(14-25)10-11-20-23(2,3)21(12-13-24(19,20)4)29-22(27)17-8-6-5-7-9-17/h5-10,14,19-21H,11-13,15H2,1-4H3/t19-,20-,21-,24+/m0/s1
InChIKey PHGYUZSQAAJLGL-IBPRQYQWSA-N
Molecular Weight 398.499 g/mol
SMILES [C@@]12([C@](C(C)(C)[C@](CC2)(OC(=O)c2ccccc2)[H])(CC=C([C@@]1(COC(=O)C)[H])C=O)[H])C
SPLASH splash10-0a4i-0900000000-aeaccf45f5dc78622bd9
Source of Spectrum H-2005-716-16
Synonyms (2S,4aS,5R,8aR)-5-[(acetyloxy)methyl]-6-formyl-1,1,4a-trimethyl-1,2,3,4,4a,5,8,8a-octahydro-2-naphthalenyl benzoate 2-Formyl-5,5,8a-trimethyl-6-(benzyloxy)-1-(acetoxymethyl)-1,4,4a,5,6,7,8,8a-octahydronaphthalene benzoic acid[(2S,4aS,5R,8aR)-5-(acetoxymethyl)-6-formyl-1,1,4a-trimethyl-2,3,4,5,8,8a-hexahydronaphthalen-2-yl]ester benzoic acid[(2S,4aS,5R,8aR)-5-(acetyloxymethyl)-6-formyl-1,1,4a-trimethyl-2,3,4,5,8,8a-hexahydronaphthalen-2-yl]ester [(2S,4aS,5R,8aR)-5-(acetoxymethyl)-6-formyl-1,1,4a-trimethyl-2,3,4,5,8,8a-hexahydronaphthalen-2-yl]benzoate [(2S,4aS,5R,8aR)-5-(acetyloxymethyl)-6-formyl-1,1,4a-trimethyl-2,3,4,5,8,8a-hexahydronaphthalen-2-yl]benzoate [(2S,4aS,5R,8aR)-5-(acetyloxymethyl)-6-methanoyl-1,1,4a-trimethyl-2,3,4,5,8,8a-hexahydronaphthalen-2-yl]benzoate benzoic acid [(2S,4aS,5R,8aR)-5-(acetyloxymethyl)-6-formyl-1,1,4a-trimethyl-2,3,4,5,8,8a-hexahydronaphthalen-2-yl] ester [(2S,4aS,5R,8aR)-5-(acetyloxymethyl)-6-formyl-1,1,4a-trimethyl-2,3,4,5,8,8a-hexahydronaphthalen-2-yl] benzoate [(2S,4aS,5R,8aR)-5-(acetoxymethyl)-6-formyl-1,1,4a-trimethyl-2,3,4,5,8,8a-hexahydronaphthalen-2-yl] benzoate [(2S,4aS,5R,8aR)-5-(acetyloxymethyl)-6-methanoyl-1,1,4a-trimethyl-2,3,4,5,8,8a-hexahydronaphthalen-2-yl] benzoate
Wiley ID 1562281