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

View entire compound with spectra: 1 MS (GC)

Benzoic acid (2S,4aS,5S,6S,8aR)-5-acetoxymethyl-6-formyl-1,1,4a-trimethyl-decahydro-naphthalen-2-yl ester
SpectraBase Compound ID 7UU9Ztrwt1U
InChI InChI=1S/C24H32O5/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/h5-9,14,18-21H,10-13,15H2,1-4H3/t18-,19+,20+,21+,24-/m1/s1
InChIKey XZSCSOFCTXJMQT-AKYZYRQPSA-N
Mol Weight 400.5 g/mol
Molecular Formula C24H32O5
Exact Mass 400.224974 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID A5mXcpICoAS
Name Benzoic acid (2S,4aS,5S,6S,8aR)-5-acetoxymethyl-6-formyl-1,1,4a-trimethyl-decahydro-naphthalen-2-yl ester
Alternate Name(s) (2S,4aS,5S,6S,8aR)-5-[(acetyloxy)methyl]-6-formyl-1,1,4a-trimethyldecahydro-2-naphthalenyl benzoate 2-Formyl-5,5,8a-trimethyl-6-(benzyloxy)-1-(acetoxymethyl)-perhydronaphthalene benzoic acid[(2S,4aS,5S,6S,8aR)-5-(acetoxymethyl)-6-formyl-1,1,4a-trimethyl-decalin-2-yl]ester benzoic acid[(2S,4aS,5S,6S,8aR)-5-(acetyloxymethyl)-6-formyl-1,1,4a-trimethyl-2,3,4,5,6,7,8,8a-octahydronaphthalen-2-yl]ester [(2S,4aS,5S,6S,8aR)-5-(acetoxymethyl)-6-formyl-1,1,4a-trimethyl-decalin-2-yl]benzoate [(2S,4aS,5S,6S,8aR)-5-(acetyloxymethyl)-6-formyl-1,1,4a-trimethyl-2,3,4,5,6,7,8,8a-octahydronaphthalen-2-yl]benzoate [(2S,4aS,5S,6S,8aR)-5-(acetyloxymethyl)-6-methanoyl-1,1,4a-trimethyl-2,3,4,5,6,7,8,8a-octahydronaphthalen-2-yl]benzoate benzoic acid [(2S,4aS,5S,6S,8aR)-5-(acetyloxymethyl)-6-formyl-1,1,4a-trimethyl-2,3,4,5,6,7,8,8a-octahydronaphthalen-2-yl] ester [(2S,4aS,5S,6S,8aR)-5-(acetyloxymethyl)-6-formyl-1,1,4a-trimethyl-2,3,4,5,6,7,8,8a-octahydronaphthalen-2-yl] benzoate [(2S,4aS,5S,6S,8aR)-5-(acetoxymethyl)-6-formyl-1,1,4a-trimethyl-decalin-2-yl] benzoate [(2S,4aS,5S,6S,8aR)-5-(acetyloxymethyl)-6-methanoyl-1,1,4a-trimethyl-2,3,4,5,6,7,8,8a-octahydronaphthalen-2-yl] benzoate
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Formula C24H32O5
InChI InChI=1S/C24H32O5/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/h5-9,14,18-21H,10-13,15H2,1-4H3/t18-,19+,20+,21+,24-/m1/s1
InChIKey XZSCSOFCTXJMQT-AKYZYRQPSA-N
Molecular Weight 400.515 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])[H])C
SPLASH splash10-0a4i-1900000000-c035080e038ebe94dbae
Source of Spectrum H-2005-716-14
Wiley ID 1562283