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15-Oxatricyclo[9.3.2.1(4,8)]heptadec-11-en-16-one, 2-hydroxy-1,7,8-trimethyl-17-methylene-, [1R-(1R*,2S*,4R*,7S*,8R*)]-
SpectraBase Compound ID JQldDhw9GfY
InChI InChI=1S/C20H30O3/c1-13-7-8-16-12-17(21)20(4)10-5-6-15(18(22)23-20)9-11-19(13,3)14(16)2/h6,13,16-17,21H,2,5,7-12H2,1,3-4H3
InChIKey SHAHCGJNHYXFLV-UHFFFAOYSA-N
Mol Weight 318.46 g/mol
Molecular Formula C20H30O3
Exact Mass 318.219495 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EonQ1jlSuHN
Name 15-Oxatricyclo[9.3.2.1(4,8)]heptadec-11-en-16-one, 2-hydroxy-1,7,8-trimethyl-17-methylene-, [1R-(1R*,2S*,4R*,7S*,8R*)]-
CAS Registry Number 72188-81-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H30O3
InChI InChI=1S/C20H30O3/c1-13-7-8-16-12-17(21)20(4)10-5-6-15(18(22)23-20)9-11-19(13,3)14(16)2/h6,13,16-17,21H,2,5,7-12H2,1,3-4H3
InChIKey SHAHCGJNHYXFLV-UHFFFAOYSA-N
Molecular Weight 318.457 g/mol
SMILES OC1CC2C(C(C)(CCC3=CCCC1(C)OC3=O)C(CC2)C)=C
SPLASH splash10-00di-3910000000-953baba60fd9a54fcb6f
Source of Spectrum W5-1989-10061-1
Synonyms Cleomeolide
Wiley ID 1318769