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4,7,7-trimethyl-3-exo-(1-naphthyl)bicyclo[2.2.1]heptan-2-yl 3(S)-hydroxytetradecanoate
SpectraBase Compound ID JErwaAOoxmm
InChI InChI=1S/C34H50O3/c1-5-6-7-8-9-10-11-12-13-19-26(35)24-30(36)37-32-29-22-23-34(4,33(29,2)3)31(32)28-21-16-18-25-17-14-15-20-27(25)28/h14-18,20-21,26,29,31-32,35H,5-13,19,22-24H2,1-4H3/t26?,29-,31+,32+,34+/m0/s1
InChIKey SEUNTLPNPNBZAT-RATMRDMXSA-N
Mol Weight 506.8 g/mol
Molecular Formula C34H50O3
Exact Mass 506.375995 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID eLyOXaMb1W
Name 4,7,7-trimethyl-3-exo-(1-naphthyl)bicyclo[2.2.1]heptan-2-yl 3(S)-hydroxytetradecanoate
CAS Registry Number 110971-15-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C34H50O3
InChI InChI=1S/C34H50O3/c1-5-6-7-8-9-10-11-12-13-19-26(35)24-30(36)37-32-29-22-23-34(4,33(29,2)3)31(32)28-21-16-18-25-17-14-15-20-27(25)28/h14-18,20-21,26,29,31-32,35H,5-13,19,22-24H2,1-4H3/t26?,29-,31+,32+,34+/m0/s1
InChIKey SEUNTLPNPNBZAT-RATMRDMXSA-N
Molecular Weight 506.771 g/mol
SMILES OC(CC(O[C@]1([C@]([C@@]2(C([C@]1(CC2)[H])(C)C)C)(c1c2c(cccc2)ccc1)[H])[H])=O)CCCCCCCCCCC
SPLASH splash10-00di-0930000000-b2fc5925284db340b5bb
Source of Spectrum C-109-7491-22
Synonyms (3S)-4,7,7-trimethyl-3-(1-naphthyl)bicyclo[2.2.1]hept-2-yl 3-hydroxytetradecanoate
Wiley ID 1399955