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Chelonaplysin C
SpectraBase Compound ID 4jiktnwJFDW
InChI InChI=1S/C22H32O5/c1-12(15-7-8-16-21(3,4)9-6-10-22(15,16)5)18-14-11-17(24)26-20(18)27-19(14)25-13(2)23/h14-16,18-20H,1,6-11H2,2-5H3/t14-,15?,16+,18+,19-,20-,22-/m1/s1
InChIKey MKSDRGRCSXORMJ-RBTPPMBQSA-N
Mol Weight 376.5 g/mol
Molecular Formula C22H32O5
Exact Mass 376.224974 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4M5ZQyLQOe7
Name Chelonaplysin C
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H32O5
InChI InChI=1S/C22H32O5/c1-12(15-7-8-16-21(3,4)9-6-10-22(15,16)5)18-14-11-17(24)26-20(18)27-19(14)25-13(2)23/h14-16,18-20H,1,6-11H2,2-5H3/t14-,15?,16+,18+,19-,20-,22-/m1/s1
InChIKey MKSDRGRCSXORMJ-RBTPPMBQSA-N
Molecular Weight 376.493 g/mol
SMILES [C@]12(O[C@@](OC(=O)C)([C@@]([C@@]1(C(C1[C@@]3([C@@](C(C)(C)CCC3)([H])CC1)C)=C)[H])(CC(O2)=O)[H])[H])[H]
SPLASH splash10-0006-9300000000-c9bbfee1b7f2fa7d3963
Source of Spectrum B-46-663-0
Synonyms (1S,5R,6S,8R)-8-{1-[(3aS,7aS)-4,4,7a-trimethyloctahydro-1H-inden-1-yl]vinyl}-3-oxo-2,7-dioxabicyclo[3.2.1]oct-6-yl acetate
Wiley ID 1357882