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(1R,2R,3S,5R,2'S)-3-O-Benzylpinanediol 2'-propenylpropionate
SpectraBase Compound ID 7qHMk9bwkvB
InChI InChI=1S/C23H32O3/c1-6-10-16(2)21(24)26-23(5)19-13-18(22(19,3)4)14-20(23)25-15-17-11-8-7-9-12-17/h6-9,11-12,16,18-20H,1,10,13-15H2,2-5H3/t16-,18+,19+,20-,23+/m0/s1
InChIKey JWAGVDJANVKUNG-NPLGLAOASA-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 AYWjoOmmp0H
Name (1R,2R,3S,5R,2'S)-3-O-Benzylpinanediol 2'-propenylpropionate
Alternate Name(s) (2S)-2-methyl-4-pentenoic acid [(1R,3S,4R,5R)-4,6,6-trimethyl-3-phenylmethoxy-4-bicyclo[3.1.1]heptanyl] ester [(1R,2R,3S,5R)-3-benzyloxy-2,6,6-trimethyl-norpinan-2-yl] (2S)-2-methylpent-4-enoate [(1R,3S,4R,5R)-4,6,6-trimethyl-3-phenylmethoxy-4-bicyclo[3.1.1]heptanyl] (2S)-2-methylpent-4-enoate
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Formula C23H32O3
InChI InChI=1S/C23H32O3/c1-6-10-16(2)21(24)26-23(5)19-13-18(22(19,3)4)14-20(23)25-15-17-11-8-7-9-12-17/h6-9,11-12,16,18-20H,1,10,13-15H2,2-5H3/t16-,18+,19+,20-,23+/m0/s1
InChIKey JWAGVDJANVKUNG-NPLGLAOASA-N
Molecular Weight 356.506 g/mol
SMILES [C@@]1([C@]2(C(C)(C)[C@@](C[C@@]1(OCc1ccccc1)[H])(C2)[H])[H])(OC(=O)[C@](CC=C)(C)[H])C
SPLASH splash10-05mo-9500000000-7345d920af515d2f0f5b
Source of Spectrum QC-11-3501-7
Wiley ID 860102