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Methyl 17-nor-8-oxo-15,16-epoxy-13(16),14-labdadien-18-oate
SpectraBase Compound ID GiMXgOzVkA
InChI InChI=1S/C20H28O4/c1-19-10-4-11-20(2,18(22)23-3)17(19)8-7-16(21)15(19)6-5-14-9-12-24-13-14/h9,12-13,15,17H,4-8,10-11H2,1-3H3/t15-,17-,19+,20-/m0/s1
InChIKey DZPPHRDEIYYQEP-UUXHPUJUSA-N
Mol Weight 332.44 g/mol
Molecular Formula C20H28O4
Exact Mass 332.198759 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3e9HsVHUPnN
Name Methyl 17-nor-8-oxo-15,16-epoxy-13(16),14-labdadien-18-oate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 332.198759378 u
Formula C20H28O4
InChI InChI=1S/C20H28O4/c1-19-10-4-11-20(2,18(22)23-3)17(19)8-7-16(21)15(19)6-5-14-9-12-24-13-14/h9,12-13,15,17H,4-8,10-11H2,1-3H3/t15-,17-,19+,20-/m0/s1
InChIKey DZPPHRDEIYYQEP-UUXHPUJUSA-N
Instrument Name Finnigan MAT 8200
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.0004.d18
Molecular Weight 332.440 g/mol
Optical Rotation [a]D20 = +55 (580nm) (c = 5.1)
Quality 81
SMILES C1C[C@]2([C@@]([C@@](C1)(C)C(OC)=O)(CCC([C@@]2(CCC=1C=COC1)[H])=O)[H])C
SPLASH splash10-00di-1491000000-b7362bf94211dfd4f666
Source of Spectrum ARK-2003-177-7 (DOI: 10.3998/ark.5550190.0004.d18)
Wiley ID 1899778