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Methyl (8R)-hydroxy-17-nor-15,16-epoxy-13(16),14-labdadien-18-oate
SpectraBase Compound ID 8k2UiK7qd2I
InChI InChI=1S/C20H30O4/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/h9,12-13,15-17,21H,4-8,10-11H2,1-3H3/t15-,16+,17-,19+,20-/m0/s1
InChIKey BYTOAOQDVPMOOM-NDLGOLERSA-N
Mol Weight 334.46 g/mol
Molecular Formula C20H30O4
Exact Mass 334.214409 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JxAbQLWlJtm
Name Methyl (8R)-hydroxy-17-nor-15,16-epoxy-13(16),14-labdadien-18-oate
Appearance Oil
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Formula C20H30O4
InChI InChI=1S/C20H30O4/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/h9,12-13,15-17,21H,4-8,10-11H2,1-3H3/t15-,16+,17-,19+,20-/m0/s1
InChIKey BYTOAOQDVPMOOM-NDLGOLERSA-N
Instrument Name Finnigan MAT 8200
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.0004.d18
Molecular Weight 334.456 g/mol
Optical Rotation [a]D20 = +47 (580nm) (c = 3.3)
Quality 193
SMILES O[C@@]1(CC[C@]2([C@](CCC[C@]2(C)C(OC)=O)([C@]1(CCC=1C=COC1)[H])C)[H])[H]
SPLASH splash10-0089-7926000000-5cb6d8884688ed4598d8
Source of Spectrum ARK-2003-179-12 (DOI: 10.3998/ark.5550190.0004.d18)
Wiley ID 1899774