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3-Oxo-14-acetoxy-5,alpha.H,4,6,11.beta.H-eudesm-1-en-12,6-diolide
SpectraBase Compound ID DZLpz6yISUp
InChI InChI=1S/C17H22O5/c1-9-13(19)5-7-17(8-21-11(3)18)6-4-12-10(2)22-16(20)14(12)15(9)17/h5,7,9-10,12,14-15H,4,6,8H2,1-3H3/t9-,10+,12?,14+,15-,17+/m1/s1
InChIKey DXSRKWRMTYHPQU-BRJKTBDSSA-N
Mol Weight 306.36 g/mol
Molecular Formula C17H22O5
Exact Mass 306.146724 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7yZXXV5kkv8
Name 3-Oxo-14-acetoxy-5,alpha.H,4,6,11.beta.H-eudesm-1-en-12,6-diolide
Alternate Name(s) ((3S,3aR,5aR,9R,9aR)-3,9-dimethyl-1,8-dioxo-3,3a,4,5,8,9,9a,9b-octahydronaphtho[1,2-c]furan-5a(1H)-yl)methyl acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H22O5
InChI InChI=1S/C17H22O5/c1-9-13(19)5-7-17(8-21-11(3)18)6-4-12-10(2)22-16(20)14(12)15(9)17/h5,7,9-10,12,14-15H,4,6,8H2,1-3H3/t9-,10+,12?,14+,15-,17+/m1/s1
InChIKey DXSRKWRMTYHPQU-BRJKTBDSSA-N
Molecular Weight 306.358 g/mol
SMILES C1([C@@]2([C@@]3([C@@](C=CC([C@]3(C)[H])=O)(COC(=O)C)CCC2[C@@](O1)(C)[H])[H])[H])=O
SPLASH splash10-001i-0290000000-61a3f85c32b52d3ed6fa
Source of Spectrum J-59-6402-33
Wiley ID 1308115