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[15-13C]-3,4-Dihydro-epi-deoxy-5-hydroxyarteannuin B
SpectraBase Compound ID Cx2HD3KWEZH
InChI InChI=1S/C15H22O3/c1-8-4-7-12-10(3)14(17)18-15(12)11(8)6-5-9(2)13(15)16/h5,8,10-13,16H,4,6-7H2,1-3H3/t8-,10-,11+,12+,13-,15+/m1/s1/i2+1
InChIKey WHRODWCLNVCIKX-QKPOKAPTSA-N
Mol Weight 251.33 g/mol
Molecular Formula C1413CH22O3
Exact Mass 251.160249 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Fc6QXZrcBEv
Name [15-13C]-3,4-Dihydro-epi-deoxy-5-hydroxyarteannuin B
Alternate Name(s) [¹³C]-3,7,11-trimethyl 2-hyoxy-13-oxatricyclo[8.3.0.0(1,6)]tridec-3-en-12-one
Comments Less than 3 mono-isotopic peaks; Original formula: C14[13C]H22O3
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Formula C15H22O3
InChI InChI=1S/C15H22O3/c1-8-4-7-12-10(3)14(17)18-15(12)11(8)6-5-9(2)13(15)16/h5,8,10-13,16H,4,6-7H2,1-3H3/t8-,10-,11+,12+,13-,15+/m1/s1/i2+1
InChIKey WHRODWCLNVCIKX-QKPOKAPTSA-N
Molecular Weight 251.330 g/mol
SMILES O[C@]1([C@]23OC(=O)[C@@]([C@@]3(CC[C@]([C@@]2(CC=C1[13CH3])[H])(C)[H])[H])(C)[H])[H]
SPLASH splash10-014i-0900000000-cbf2d5f18feae12eb0d4
Source of Spectrum KC-57-8493-15
Wiley ID 1626107