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Debromoisoaplysin-20 monoacetate
SpectraBase Compound ID BVSiUFwRSkr
InChI InChI=1S/C22H38O3/c1-15(23)25-14-18-21(5)12-8-16-19(2,3)10-7-11-20(16,4)17(21)9-13-22(18,6)24/h16-18,24H,7-14H2,1-6H3/t16-,17+,18-,20-,21+,22-/m1/s1
InChIKey CLCXBWMWCNLBHE-WXEUSARHSA-N
Mol Weight 350.5 g/mol
Molecular Formula C22H38O3
Exact Mass 350.282095 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2iBzS5cJfBS
Name Debromoisoaplysin-20 monoacetate
CAS Registry Number 72264-60-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H38O3
InChI InChI=1S/C22H38O3/c1-15(23)25-14-18-21(5)12-8-16-19(2,3)10-7-11-20(16,4)17(21)9-13-22(18,6)24/h16-18,24H,7-14H2,1-6H3/t16-,17+,18-,20-,21+,22-/m1/s1
InChIKey CLCXBWMWCNLBHE-WXEUSARHSA-N
Molecular Weight 350.543 g/mol
SMILES O[C@]1([C@@]([C@@]2([C@]([C@@]3(CCCC([C@]3(CC2)[H])(C)C)C)(CC1)[H])C)(COC(=O)C)[H])C
SPLASH splash10-0597-3930000000-1974e3e376c2127dea31
Source of Spectrum J-45-514-0
Synonyms 13-Epidebromoisoaplysin-20 monoacetate [(5beta,8alpha,9beta,10alpha,13beta,14alpha)-13-hydroxy-8,13-dimethylpodocarpan-14-yl]methyl acetate
Wiley ID 1342254