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PENOSTATIN-C

View entire compound with spectra: 1 NMR, and 1 MS (GC)

PENOSTATIN-C
SpectraBase Compound ID 8e8ZEIVkcKn
InChI InChI=1S/C22H30O2/c1-3-4-5-6-7-8-9-13-21-16(2)14-19-18-12-10-11-17(18)15-20(23)22(19)24-21/h9-11,13-15,18-19,21-22H,3-8,12H2,1-2H3/b13-9+/t18-,19+,21+,22-/m1/s1
InChIKey HWLGMVWNJRZMKV-MHNZBMDGSA-N
Mol Weight 326.48 g/mol
Molecular Formula C22H30O2
Exact Mass 326.22458 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JCTeUsFY081
Name (3S,4aR,9aS,9bS)-2-methyl-3-[(E)-non-1-enyl]-4a,9,9a,9b-tetrahydro-3H-cyclopenta[f]chromen-5-one
Alternate Name(s) (3S,4aR,9aS,9bS)-2-methyl-3-[(E)-non-1-enyl]-4a,9,9a,9b-tetrahydro-3H-cyclopenta[f][1]benzopyran-5-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H30O2
InChI InChI=1S/C22H30O2/c1-3-4-5-6-7-8-9-13-21-16(2)14-19-18-12-10-11-17(18)15-20(23)22(19)24-21/h9-11,13-15,18-19,21-22H,3-8,12H2,1-2H3/b13-9+/t18-,19+,21+,22-/m1/s1
InChIKey HWLGMVWNJRZMKV-MHNZBMDGSA-N
Molecular Weight 326.480 g/mol
SMILES [C@]12([C@@](O[C@](C(=C2)C)(\C=C\CCCCCCC)[H])(C(=O)C=C2[C@]1(CC=C2)[H])[H])[H]
SPLASH splash10-056r-0985000000-a8c4e6b5e021ab45e4ce
Source of Spectrum F-55-14365-6
Wiley ID 840014