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1H-2,10a-methanophenanthrene-1-carboxylic acid, dodecahydro-2,4b,8,8-tetramethyl-, methyl ester, [1R-(1.alpha.,2.alpha.,4a.alpha.,4b.beta.,8a.alpha.,10a.alpha.)]-
SpectraBase Compound ID 8hIB480qiYa
InChI InChI=1S/C21H34O2/c1-18(2)9-6-10-20(4)14(18)8-12-21-13-19(3,11-7-15(20)21)16(21)17(22)23-5/h14-16H,6-13H2,1-5H3/t14-,15+,16-,19+,20-,21+/m1/s1
InChIKey KTDXKXVVPCQQHC-GOLBOHCDSA-N
Mol Weight 318.5 g/mol
Molecular Formula C21H34O2
Exact Mass 318.25588 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID E4Jkre7MCP4
Name 1H-2,10a-methanophenanthrene-1-carboxylic acid, dodecahydro-2,4b,8,8-tetramethyl-, methyl ester, [1R-(1.alpha.,2.alpha.,4a.alpha.,4b.beta.,8a.alpha.,10a.alpha.)]-
Alternate Name(s) Methyl (1S,4R,9R,10S,13S,14R)-5,5,9,13-tetramethyltetracyclo[11.1.1.0(1,10).0(4,9)]pentadecane-14-carboxylate
CAS Registry Number 107540-99-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H34O2
InChI InChI=1S/C21H34O2/c1-18(2)9-6-10-20(4)14(18)8-12-21-13-19(3,11-7-15(20)21)16(21)17(22)23-5/h14-16H,6-13H2,1-5H3/t14-,15+,16-,19+,20-,21+/m1/s1
InChIKey KTDXKXVVPCQQHC-GOLBOHCDSA-N
Molecular Weight 318.501 g/mol
SMILES [C@]123[C@]([C@@]4(CCCC([C@]4(CC3)[H])(C)C)C)(CC[C@](C2)(C)[C@]1(C(=O)OC)[H])[H]
SPLASH splash10-05ug-9301000000-c7ac94fa32c394b896f3
Source of Spectrum J-52-2071-11
Wiley ID 1319006