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sigmosceptrin-B methyl ester
SpectraBase Compound ID EvCOUntNopI
InChI InChI=1S/C20H32O2/c1-14(18(21)22-6)10-12-19(4)16(3)11-13-20(5)15(2)8-7-9-17(19)20/h10,12,14,16-17H,2,7-9,11,13H2,1,3-6H3/b12-10+/t14-,16-,17?,19+,20-/m1/s1
InChIKey KPDWNCQHEZMFCK-XHILUXMTSA-N
Mol Weight 304.5 g/mol
Molecular Formula C20H32O2
Exact Mass 304.24023 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID qCs7dPbVee
Name sigmosceptrin-B methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H32O2
InChI InChI=1S/C20H32O2/c1-14(18(21)22-6)10-12-19(4)16(3)11-13-20(5)15(2)8-7-9-17(19)20/h10,12,14,16-17H,2,7-9,11,13H2,1,3-6H3/b12-10+/t14-,16-,17?,19+,20-/m1/s1
InChIKey KPDWNCQHEZMFCK-XHILUXMTSA-N
Molecular Weight 304.474 g/mol
SMILES [C@@]12(C([C@](\C=C\[C@](C(=O)OC)(C)[H])(C)[C@@](CC2)(C)[H])CCCC1=C)C
SPLASH splash10-00dj-4900000000-6f34b8cc639227ad79c0
Source of Spectrum JA-50-1137-0
Synonyms Methyl (2R,3E)-4-[(1R,2R,4aS)-1,2,4a-trimethyl-5-methylenedecahydro-1-naphthalenyl]-2-methyl-3-butenoate
Wiley ID 1306956