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Dactylosponol

View entire compound with spectra: 1 NMR, and 1 MS (GC)

Dactylosponol
SpectraBase Compound ID 86eg3iNXox1
InChI InChI=1S/C23H32O3/c1-15-7-10-20-22(2,3)11-6-12-23(20,4)18(15)14-17-13-16(21(25)26-5)8-9-19(17)24/h7-9,13,18,20,24H,6,10-12,14H2,1-5H3/t18-,20-,23+/m0/s1
InChIKey ABUPJXVKVVYCOX-GREBRCKQSA-N
Mol Weight 356.5 g/mol
Molecular Formula C23H32O3
Exact Mass 356.235145 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8YLRHFyCltN
Name Dactylosponol
Alternate Name(s) 4-Hydroxy-3-((1S,4aS,8aS)-2,5,5,8a-tetramethyl-1,4,4a,5,6,7,8,8a-octahydro-naphthalen-1-ylmethyl)-benzoic acid methyl ester Methyl 3-[(2,5,5,8a-tetramethyl-1,4,4a,5,6,7,8,8a-octahydro-1-naphthalenyl)methyl]-4-hydroxybenzoate 3-[[(1S,4aS,8aS)-2,5,5,8a-tetramethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]methyl]-4-hydroxybenzoic acid methyl ester Methyl 3-[[(1S,4aS,8aS)-2,5,5,8a-tetramethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]methyl]-4-hydroxybenzoate Methyl 3-[[(1S,4aS,8aS)-2,5,5,8a-tetramethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]methyl]-4-hydroxy-benzoate Methyl 3-[[(1S,4aS,8aS)-2,5,5,8a-tetramethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]methyl]-4-oxidanyl-benzoate
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Formula C23H32O3
InChI InChI=1S/C23H32O3/c1-15-7-10-20-22(2,3)11-6-12-23(20,4)18(15)14-17-13-16(21(25)26-5)8-9-19(17)24/h7-9,13,18,20,24H,6,10-12,14H2,1-5H3/t18-,20-,23+/m0/s1
InChIKey ABUPJXVKVVYCOX-GREBRCKQSA-N
Molecular Weight 356.506 g/mol
SMILES Oc1c(C[C@@]2([C@@]3([C@@](CC=C2C)(C(C)(C)CCC3)[H])C)[H])cc(C(=O)OC)cc1
SPLASH splash10-00kf-0942000000-16aec385281f14a766a0
Source of Spectrum F-48-6677-18
Wiley ID 1346176