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Menthyl [4a(S),10a(S)]-1,2,3,4,4a,9,10,10a-octahydro-6-methoxy-1,1,4a-triimethylphenanthrene-9-carboxylate
SpectraBase Compound ID AeJpDCe4M8K
InChI InChI=1S/C29H44O3/c1-18(2)21-11-9-19(3)15-25(21)32-27(30)23-17-26-28(4,5)13-8-14-29(26,6)24-16-20(31-7)10-12-22(23)24/h10,12,16,18-19,21,23,25-26H,8-9,11,13-15,17H2,1-7H3/t19?,21?,23-,25?,26+,29-/m1/s1
InChIKey KNHJHPISNCFAFY-MFLDRRGCSA-N
Mol Weight 440.7 g/mol
Molecular Formula C29H44O3
Exact Mass 440.329045 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EYXdku1RiJ4
Name Menthyl [4a(S),10a(S)]-1,2,3,4,4a,9,10,10a-octahydro-6-methoxy-1,1,4a-triimethylphenanthrene-9-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H44O3
InChI InChI=1S/C29H44O3/c1-18(2)21-11-9-19(3)15-25(21)32-27(30)23-17-26-28(4,5)13-8-14-29(26,6)24-16-20(31-7)10-12-22(23)24/h10,12,16,18-19,21,23,25-26H,8-9,11,13-15,17H2,1-7H3/t19?,21?,23-,25?,26+,29-/m1/s1
InChIKey KNHJHPISNCFAFY-MFLDRRGCSA-N
Molecular Weight 440.668 g/mol
SMILES [C@]12(c3c(ccc(c3)OC)[C@@](C[C@]1(C(C)(C)CCC2)[H])(C(OC1C(CCC(C1)C)C(C)C)=O)[H])C
SPLASH splash10-0a4l-5791500000-788c2cf2c93254f0980b
Source of Spectrum KC-0-2661-6
Synonyms 2-isopropyl-5-methylcyclohexyl 12-methoxypodocarpa-8,11,13-triene-7-carboxylate Menthyl 1,2,3,4,4a,9,10,10a-octehydro-6-methoxy-1,1,4a-triimethylphenanthrene-9-carboxylate Menthyl[4a(S),9(R),10a(S)]-1,2,3,4,4a,9,10,10a-octahydro-6-methoxy-1,1,4a-triimethylphenanthrene-9-carboxylate
Wiley ID 831495