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4a,8a-(Methaniminomethano)naphthalene-10-acetic acid, 1,4,5,8-tetrahydro-.alpha.-(2-methylpropyl)-9,11-dioxo-, 1,7,7-trimethylbicyclo[2.2.1]hept-2-yl ester, [2(S)-exo]-
SpectraBase Compound ID GsouZ254B6j
InChI InChI=1S/C28H39NO4/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/h6-9,18-21H,10-17H2,1-5H3/t19-,20?,21-,26+,27-,28+/m0/s1
InChIKey UAVMXQPZNHAGFI-FKQOOSFXSA-N
Mol Weight 453.6 g/mol
Molecular Formula C28H39NO4
Exact Mass 453.287909 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H7CzZaP5kEg
Name 4a,8a-(Methaniminomethano)naphthalene-10-acetic acid, 1,4,5,8-tetrahydro-.alpha.-(2-methylpropyl)-9,11-dioxo-, 1,7,7-trimethylbicyclo[2.2.1]hept-2-yl ester, [2(S)-exo]-
CAS Registry Number 78388-39-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H39NO4
InChI InChI=1S/C28H39NO4/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/h6-9,18-21H,10-17H2,1-5H3/t19-,20?,21-,26+,27-,28+/m0/s1
InChIKey UAVMXQPZNHAGFI-FKQOOSFXSA-N
Molecular Weight 453.623 g/mol
SMILES C1(N(C([C@]23CC=CC[C@]12CC=CC3)=O)C(C(O[C@@]1([C@@]2(C(C)(C)[C@](C1)(CC2)[H])C)[H])=O)CC(C)C)=O
SPLASH splash10-0fer-5943000000-6bef6f49960bb4951e19
Source of Spectrum F-37-159-0
Synonyms 1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl 2-{11,13-dioxo-12-azatricyclo[4.4.3.0(1,6)]trideca-3,8-dien-12-yl}-4-methylpentanoate exo-bornyl 11',13'-dioxo-12'-aza[4.4.3]propella-3',8'-diene-12'-(2S)-methylpentanoate
Wiley ID 1388542