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4a,8a-(Methaniminomethano)naphthalene-10-acetic acid, .alpha.-(2-methylpropyl)-9,11-dioxo-, 1,7,7-trimethylbicyclo[2.2.1]hept-2-yl ester, [1R-[1.alpha.,2.alpha.(S*),4.alpha.]]-
SpectraBase Compound ID A7ycnjz7luO
InChI InChI=1S/C28H35NO4/c1-18(2)16-20(22(30)33-21-17-19-10-15-26(21,5)25(19,3)4)29-23(31)27-11-6-7-12-28(27,24(29)32)14-9-8-13-27/h6-9,11-14,18-21H,10,15-17H2,1-5H3/t19-,20-,21+,26+,27-,28+/m0/s1
InChIKey HMCVNNBMKDTTCK-BMARJGTRSA-N
Mol Weight 449.6 g/mol
Molecular Formula C28H35NO4
Exact Mass 449.256609 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Fa59YELMbLq
Name 4a,8a-(Methaniminomethano)naphthalene-10-acetic acid, .alpha.-(2-methylpropyl)-9,11-dioxo-, 1,7,7-trimethylbicyclo[2.2.1]hept-2-yl ester, [1R-[1.alpha.,2.alpha.(S*),4.alpha.]]-
CAS Registry Number 78403-40-4
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H35NO4
InChI InChI=1S/C28H35NO4/c1-18(2)16-20(22(30)33-21-17-19-10-15-26(21,5)25(19,3)4)29-23(31)27-11-6-7-12-28(27,24(29)32)14-9-8-13-27/h6-9,11-14,18-21H,10,15-17H2,1-5H3/t19-,20-,21+,26+,27-,28+/m0/s1
InChIKey HMCVNNBMKDTTCK-BMARJGTRSA-N
Molecular Weight 449.591 g/mol
SMILES C1(N(C([C@]23C=CC=C[C@]12C=CC=C3)=O)[C@](C(O[C@]1([C@@]2(C(C)(C)[C@](C1)(CC2)[H])C)[H])=O)(CC(C)C)[H])=O
SPLASH splash10-0fer-5943000000-6bef6f49960bb4951e19
Source of Spectrum F-37-160-0
Synonyms (1S,2R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl (2S)-2-{11,13-dioxo-12-azatricyclo[4.4.3.0(1,6)]trideca-2,4,7,9-tetraen-12-yl}-4-methylpentanoate exo-bornyl 11',13'-dioxo-12'-aza[4.4.3]propella-2',4',7',9'-tetraene-12'-(2S)-methylpentanoate
Wiley ID 1387493