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2,15-Diketo-atractylgeniN-methyl ester
SpectraBase Compound ID 4JcKxEhFgQC
InChI InChI=1S/C20H26O4/c1-11-12-4-5-16-19(2)10-13(21)8-14(18(23)24-3)15(19)6-7-20(16,9-12)17(11)22/h12,14-16H,1,4-10H2,2-3H3/t12-,14-,15?,16+,19-,20-/m1/s1
InChIKey JSVYWQFZVYJDCP-JUUKPGRQSA-N
Mol Weight 330.42 g/mol
Molecular Formula C20H26O4
Exact Mass 330.183109 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GHGQObURZoR
Name 2,15-Diketo-atractylgeniN-methyl ester
Alternate Name(s) Methyl 2,15-dioxo-18-nor-16-kauren-19-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H26O4
InChI InChI=1S/C20H26O4/c1-11-12-4-5-16-19(2)10-13(21)8-14(18(23)24-3)15(19)6-7-20(16,9-12)17(11)22/h12,14-16H,1,4-10H2,2-3H3/t12-,14-,15?,16+,19-,20-/m1/s1
InChIKey JSVYWQFZVYJDCP-JUUKPGRQSA-N
Molecular Weight 330.424 g/mol
SMILES [C@@]123C(C(=C)[C@@](C3)(CC[C@]1([C@]1(C([C@](C(=O)OC)(CC(C1)=O)[H])CC2)C)[H])[H])=O
SPLASH splash10-0005-4290000000-d11e9b40e415a5e00730
Source of Spectrum G4-70-349-3
Wiley ID 1694674