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Palustric acid methyl ester
SpectraBase Compound ID 4b96jYjzF65
InChI InChI=1S/C21H32O2/c1-14(2)15-7-9-17-16(13-15)8-10-18-20(17,3)11-6-12-21(18,4)19(22)23-5/h13-14,18H,6-12H2,1-5H3/t18-,20-,21-/m1/s1
InChIKey MEQSJWRGVQAVJY-HMXCVIKNSA-N
Mol Weight 316.5 g/mol
Molecular Formula C21H32O2
Exact Mass 316.24023 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Tvyh50Qk4
Name Palustric acid methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H32O2
InChI InChI=1S/C21H32O2/c1-14(2)15-7-9-17-16(13-15)8-10-18-20(17,3)11-6-12-21(18,4)19(22)23-5/h13-14,18H,6-12H2,1-5H3/t18-,20-,21-/m1/s1
InChIKey MEQSJWRGVQAVJY-HMXCVIKNSA-N
Literature Reference DOI 10.1002/rcm.3785
Molecular Weight 316.485 g/mol
SMILES C1C[C@]2([C@@](CCC3=C2CCC(=C3)C(C)C)([C@@](C1)(C(OC)=O)C)[H])C
SPLASH splash10-0uxu-0239000000-5adcae9b59fbb500980a
Source of Spectrum RCM-22-3713-Table1,entry25
Synonyms Methyl (1R,4aS,10aR)-7-isopropyl-1,4a-dimethyl-1,2,3,4,4a,5,6,9,10,10a-decahydrophenanthrene-1-carboxylate
Wiley ID 1814525