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8-(Benzoylmethyl)-11-(benzyl)tricyclo[8.3.0.1(1,6)]tetradecan-14-one
SpectraBase Compound ID 5eWvnwMSdu2
InChI InChI=1S/C29H32O5/c30-26-23-13-7-8-15-29(26)16-14-25(34-28(32)22-11-5-2-6-12-22)24(29)18-20(17-23)19-33-27(31)21-9-3-1-4-10-21/h1-6,9-12,20,23-25H,7-8,13-19H2/t20-,23+,24+,25-,29?/m0/s1
InChIKey XBXVCTLRUVHUOD-SSRYZFHZSA-N
Mol Weight 460.6 g/mol
Molecular Formula C29H32O5
Exact Mass 460.224974 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 49wtmsBFzs
Name 8-(Benzoylmethyl)-11-(benzyl)tricyclo[8.3.0.1(1,6)]tetradecan-14-one
Alternate Name(s) (6R,8R,10S,11S) 8-(Benzoyloxymethyl)-11-(benzoyloxy)tricyclo[8.3.0.1(1,6)]tetradecan-14-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H32O5
InChI InChI=1S/C29H32O5/c30-26-23-13-7-8-15-29(26)16-14-25(34-28(32)22-11-5-2-6-12-22)24(29)18-20(17-23)19-33-27(31)21-9-3-1-4-10-21/h1-6,9-12,20,23-25H,7-8,13-19H2/t20-,23+,24+,25-,29?/m0/s1
InChIKey XBXVCTLRUVHUOD-SSRYZFHZSA-N
Molecular Weight 460.570 g/mol
SMILES C123C([C@@](C[C@@](C[C@@]3([C@@](OC(=O)c3ccccc3)(CC2)[H])[H])(COC(=O)c2ccccc2)[H])(CCCC1)[H])=O
SPLASH splash10-00lb-0931000000-07e0d84b70c3370e4584
Source of Spectrum J-60-1388-43
Wiley ID 1390610