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(1R,4aR,6S,8aS)-2-(Hydroxymethyl)-5,5,8a-trimethyl-6-(benzoyloxy)-1-(acetoxymethyl)-1,4,4a,5,6,7,8,8a-octahydronaphthalene

View entire compound with spectra: 1 MS (GC)

(1R,4aR,6S,8aS)-2-(Hydroxymethyl)-5,5,8a-trimethyl-6-(benzoyloxy)-1-(acetoxymethyl)-1,4,4a,5,6,7,8,8a-octahydronaphthalene
SpectraBase Compound ID GM4jVVjHuBT
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/h5-10,19-21,25H,11-15H2,1-4H3/t19-,20-,21-,24+/m0/s1
InChIKey DQWGFOSYMMCISK-IBPRQYQWSA-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 AOJNiSlHXv7
Name (1R,4aR,6S,8aS)-2-(Hydroxymethyl)-5,5,8a-trimethyl-6-(benzoyloxy)-1-(acetoxymethyl)-1,4,4a,5,6,7,8,8a-octahydronaphthalene
Alternate Name(s) (2S,4aS,5R,8aR)-5-[(acetyloxy)methyl]-6-(hydroxymethyl)-1,1,4a-trimethyl-1,2,3,4,4a,5,8,8a-octahydro-2-naphthalenyl benzoate 2-(Hydroxymethyl)-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)-1,1,4a-trimethyl-6-methylol-2,3,4,5,8,8a-hexahydronaphthalen-2-yl]ester benzoic acid[(2S,4aS,5R,8aR)-5-(acetyloxymethyl)-6-(hydroxymethyl)-1,1,4a-trimethyl-2,3,4,5,8,8a-hexahydronaphthalen-2-yl]ester [(2S,4aS,5R,8aR)-5-(acetoxymethyl)-6-(hydroxymethyl)-1,1,4a-trimethyl-2,3,4,5,8,8a-hexahydronaphthalen-2-yl]benzoate [(2S,4aS,5R,8aR)-5-(acetyloxymethyl)-6-(hydroxymethyl)-1,1,4a-trimethyl-2,3,4,5,8,8a-hexahydronaphthalen-2-yl]benzoate benzoic acid [(2S,4aS,5R,8aR)-5-(acetyloxymethyl)-6-(hydroxymethyl)-1,1,4a-trimethyl-2,3,4,5,8,8a-hexahydronaphthalen-2-yl] ester [(2S,4aS,5R,8aR)-5-(acetoxymethyl)-6-(hydroxymethyl)-1,1,4a-trimethyl-2,3,4,5,8,8a-hexahydronaphthalen-2-yl] benzoate [(2S,4aS,5R,8aR)-5-(acetyloxymethyl)-6-(hydroxymethyl)-1,1,4a-trimethyl-2,3,4,5,8,8a-hexahydronaphthalen-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/h5-10,19-21,25H,11-15H2,1-4H3/t19-,20-,21-,24+/m0/s1
InChIKey DQWGFOSYMMCISK-IBPRQYQWSA-N
Molecular Weight 400.515 g/mol
SMILES OCC=1[C@@]([C@@]2([C@](C(C)(C)[C@](CC2)(OC(=O)c2ccccc2)[H])(CC1)[H])C)(COC(=O)C)[H]
SPLASH splash10-0a4i-0900000000-a4dd88d69f4ee9a9fd40
Source of Spectrum H-2005-715-12
Wiley ID 1562285