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1-Phenanthreneacetic acid, tetradecahydro-4b,8,8,10a-tetramethyl-, methyl ester, (1.alpha.,4a.beta.,4b.alpha.,8a.beta.,10a.alpha.)-(.+-.)-

View entire compound with spectra: 1 MS (GC)

1-Phenanthreneacetic acid, tetradecahydro-4b,8,8,10a-tetramethyl-, methyl ester, (1.alpha.,4a.beta.,4b.alpha.,8a.beta.,10a.alpha.)-(.+-.)-
SpectraBase Compound ID Ae3q1kUJLI6
InChI InChI=1S/C21H36O2/c1-19(2)11-7-12-21(4)16(19)10-13-20(3)15(14-18(22)23-5)8-6-9-17(20)21/h15-17H,6-14H2,1-5H3/t15-,16-,17-,20-,21-/m0/s1
InChIKey KHOOCAHWXCXQJI-RNEDXHKXSA-N
Mol Weight 320.5 g/mol
Molecular Formula C21H36O2
Exact Mass 320.27153 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KE38ilKM0Ew
Name 1-Phenanthreneacetic acid, tetradecahydro-4b,8,8,10a-tetramethyl-, methyl ester, (1.alpha.,4a.beta.,4b.alpha.,8a.beta.,10a.alpha.)-(.+-.)-
Alternate Name(s) (+-) Methyl 13-norisocopalane-15-carboxylate Methyl[(14beta)-8-methylpodocarpan-14-yl]acetate
CAS Registry Number 121960-41-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H36O2
InChI InChI=1S/C21H36O2/c1-19(2)11-7-12-21(4)16(19)10-13-20(3)15(14-18(22)23-5)8-6-9-17(20)21/h15-17H,6-14H2,1-5H3/t15-,16-,17-,20-,21-/m0/s1
InChIKey KHOOCAHWXCXQJI-RNEDXHKXSA-N
Molecular Weight 320.517 g/mol
SMILES [C@]12([C@@]3([C@@]([C@](CC(=O)OC)(CCC3)[H])(C)CC[C@]1(C(C)(C)CCC2)[H])[H])C
SPLASH splash10-0596-8902000000-9baf3d2bd8ea37a148a5
Source of Spectrum KC-1988-2327-10
Wiley ID 1320596