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14-O-acetylmutilin
SpectraBase Compound ID 2p7Hs7gl5zC
InChI InChI=1S/C22H34O4/c1-7-20(5)12-17(26-15(4)23)21(6)13(2)8-10-22(14(3)19(20)25)11-9-16(24)18(21)22/h7,13-14,17-19,25H,1,8-12H2,2-6H3/t13?,14-,17+,18-,19-,20+,21-,22-/m0/s1
InChIKey KUBKXMIPSJEXGM-JLLOXINFSA-N
Mol Weight 362.5 g/mol
Molecular Formula C22H34O4
Exact Mass 362.24571 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FhtCcaWpBbT
Name 14-O-acetylmutilin
Alternate Name(s) (3aS,4R,5S,6S,8R,9R,9aR)-5-hydroxy-4,6,9,10-tetramethyl-1-oxo-6-vinyldecahydro-3a,9-propanocyclopenta[8]annulen-8-yl acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H34O4
InChI InChI=1S/C22H34O4/c1-7-20(5)12-17(26-15(4)23)21(6)13(2)8-10-22(14(3)19(20)25)11-9-16(24)18(21)22/h7,13-14,17-19,25H,1,8-12H2,2-6H3/t13?,14-,17+,18-,19-,20+,21-,22-/m0/s1
InChIKey KUBKXMIPSJEXGM-JLLOXINFSA-N
Literature Reference DOI 10.1002/cbic.201700434
Molecular Weight 362.510 g/mol
SMILES O[C@]1([C@@]([C@]23CCC([C@]([C@@]3(C(CC2)=O)[H])([C@@](C[C@]1(C=C)C)(OC(C)=O)[H])C)C)(C)[H])[H]
SPLASH splash10-03di-3900000000-9dbc7617e180490db1ec
Source of Spectrum CBC-18-SM7-7
Wiley ID 1819371