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Methyl 16-oxo-cleroda-3,13(14)-E-dien-15-oate
SpectraBase Compound ID FPG2crj3Agx
InChI InChI=1S/C21H32O3/c1-15-7-6-8-18-20(15,3)11-9-16(2)21(18,4)12-10-17(14-22)13-19(23)24-5/h7,13-14,16,18H,6,8-12H2,1-5H3/b17-13-/t16-,18+,20+,21+/m1/s1
InChIKey LBQJQXBWPAQSOS-STTWNCNFSA-N
Mol Weight 332.5 g/mol
Molecular Formula C21H32O3
Exact Mass 332.235145 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CPpVm3OYANG
Name Methyl 16-oxo-cleroda-3,13(14)-E-dien-15-oate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H32O3
InChI InChI=1S/C21H32O3/c1-15-7-6-8-18-20(15,3)11-9-16(2)21(18,4)12-10-17(14-22)13-19(23)24-5/h7,13-14,16,18H,6,8-12H2,1-5H3/b17-13-/t16-,18+,20+,21+/m1/s1
InChIKey LBQJQXBWPAQSOS-STTWNCNFSA-N
Molecular Weight 332.484 g/mol
SMILES [C@]12([C@@]([C@](CC\C(=C\C(=O)OC)C=O)(C)[C@@](CC2)(C)[H])(CCC=C1C)[H])C
SPLASH splash10-0a4j-7900000000-184106d70642cdc508b5
Source of Spectrum PS-1999-0-67
Synonyms 17 M I Methyl (2Z)-5-[(1S)-1,2,4a,5-tetramethyl-1,2,3,4,4a,7,8,8a-octahydro-1-naphthalenyl]-3-formyl-2-pentenoate
Wiley ID 1329852