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(7R)-3-Benzyloxy-7-Acetoxy-4,4,8-trimethylbicyclo[6.4.0]dodec-9-en-2,6,11-trione

View entire compound with spectra: 2 MS (GC)

(7R)-3-Benzyloxy-7-Acetoxy-4,4,8-trimethylbicyclo[6.4.0]dodec-9-en-2,6,11-trione
SpectraBase Compound ID 817gIqI4N7b
InChI InChI=1S/C24H28O6/c1-15(25)30-21-19(27)13-23(2,3)22(29-14-16-8-6-5-7-9-16)20(28)18-12-17(26)10-11-24(18,21)4/h5-11,18,21-22H,12-14H2,1-4H3/t18-,21+,22-,24-/m1/s1
InChIKey SBJIRSINWARTBD-JITXHHKSSA-N
Mol Weight 412.48 g/mol
Molecular Formula C24H28O6
Exact Mass 412.188589 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 28fQFarVUjS
Name (7R)-3-Benzyloxy-7-Acetoxy-4,4,8-trimethylbicyclo[6.4.0]dodec-9-en-2,6,11-trione
Alternate Name(s) 7-Acetyl-3-benzyloxy-4,4,8-trimethylbicyclo[6.4.0]dodec-9-en-2,6,11-trione (5R)-9-(benzyloxy)-4a,8,8-trimethyl-2,6,10-trioxo-1,2,4a,5,6,7,8,9,10,10a-decahydrobenzo[a]cycloocten-5-yl acetate (1S,3S,7R,8R)-7-Acetyl-3-benzyloxy-4,4,8-trimethylbicyclo[6.4.0]dodec-9-en-2,6,11-trione Acetic acid (4aR,5R,9S,10aS)-9-benzyloxy-4a,8,8-trimethyl-2,6,10-trioxo-1,2,4a,5,6,7,8,9,10,10a-decahydro-benzocycloocten-5-yl ester (4aR,5R,9S,10aS)-9-(benzyloxy)-4a,8,8-trimethyl-2,6,10-trioxo-1,2,4a,5,6,7,8,9,10,10a-decahydrobenzo[a]cycloocten-5-yl acetate Acetic acid [(4aS,6S,10R,10aR)-7,7,10a-trimethyl-3,5,9-trioxo-6-phenylmethoxy-4a,6,8,10-tetrahydro-4H-benzo[8]annulen-10-yl] ester [(4aS,6S,10R,10aR)-7,7,10a-trimethyl-3,5,9-trioxo-6-phenylmethoxy-4a,6,8,10-tetrahydro-4H-benzo[8]annulen-10-yl] acetate [(4aS,6S,10R,10aR)-6-benzyloxy-7,7,10a-trimethyl-3,5,9-trioxo-4a,6,8,10-tetrahydro-4H-benzo[8]annulen-10-yl] acetate [(4aS,6S,10R,10aR)-7,7,10a-trimethyl-3,5,9-tris(oxidanylidene)-6-phenylmethoxy-4a,6,8,10-tetrahydro-4H-benzo[8]annulen-10-yl] ethanoate
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Formula C24H28O6
InChI InChI=1S/C24H28O6/c1-15(25)30-21-19(27)13-23(2,3)22(29-14-16-8-6-5-7-9-16)20(28)18-12-17(26)10-11-24(18,21)4/h5-11,18,21-22H,12-14H2,1-4H3/t18-,21+,22-,24-/m1/s1
InChIKey SBJIRSINWARTBD-JITXHHKSSA-N
Molecular Weight 412.482 g/mol
SMILES [C@]12([C@@](C([C@@](OCc3ccccc3)(C(CC([C@@]1(OC(=O)C)[H])=O)(C)C)[H])=O)(CC(C=C2)=O)[H])C
SPLASH splash10-000x-7092000000-35a1b2100161710bc050
Source of Spectrum F-52-6229-7
Wiley ID 796347