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4a,8a-(Methaniminomethano)naphthalene-10-acetic acid, .alpha.-methyl-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 1JFhpSsqrCh
InChI InChI=1S/C25H29NO4/c1-16(19(27)30-18-15-17-9-14-23(18,4)22(17,2)3)26-20(28)24-10-5-6-11-25(24,21(26)29)13-8-7-12-24/h5-8,10-13,16-18H,9,14-15H2,1-4H3/t16?,17-,18+,23+,24-,25+/m1/s1
InChIKey XYEHZJURJHKRJI-MVTAIUDZSA-N
Mol Weight 407.51 g/mol
Molecular Formula C25H29NO4
Exact Mass 407.209658 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FnE8GzGDkv7
Name 4a,8a-(Methaniminomethano)naphthalene-10-acetic acid, .alpha.-methyl-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 78403-51-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H29NO4
InChI InChI=1S/C25H29NO4/c1-16(19(27)30-18-15-17-9-14-23(18,4)22(17,2)3)26-20(28)24-10-5-6-11-25(24,21(26)29)13-8-7-12-24/h5-8,10-13,16-18H,9,14-15H2,1-4H3/t16?,17-,18+,23+,24-,25+/m1/s1
InChIKey XYEHZJURJHKRJI-MVTAIUDZSA-N
Molecular Weight 407.510 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)C)=O
SPLASH splash10-004i-0900000000-cd10a646bfaac49e9d36
Source of Spectrum F-37-165-0
Synonyms (1R,2S,4S)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl 2-{11,13-dioxo-12-azatricyclo[4.4.3.0(1,6)]trideca-2,4,7,9-tetraen-12-yl}propanoate exo-bornyl 11',13'-dioxo-12'-aza[4.4.3]propella-2',4',7',9'-tetraene-12'-(2S)-propionate
Wiley ID 1372630