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[15-13C]-3,4-Dihydro-epi-deoxy5-hydrperoxyarteannuin B
SpectraBase Compound ID F84CqUBilC6
InChI InChI=1S/C15H22O4/c1-8-4-7-12-10(3)14(16)18-15(12)11(8)6-5-9(2)13(15)19-17/h5,8,10-13,17H,4,6-7H2,1-3H3/t8-,10-,11+,12+,13-,15+/m1/s1/i2+1
InChIKey XCGBUEODRGSOKV-QKPOKAPTSA-N
Mol Weight 267.33 g/mol
Molecular Formula C1413CH22O4
Exact Mass 267.155164 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GEL0W1kKPiC
Name [15-13C]-3,4-Dihydro-epi-deoxy5-hydrperoxyarteannuin B
Comments Original formula: C14[13C]H22O4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H22O4
InChI InChI=1S/C15H22O4/c1-8-4-7-12-10(3)14(16)18-15(12)11(8)6-5-9(2)13(15)19-17/h5,8,10-13,17H,4,6-7H2,1-3H3/t8-,10-,11+,12+,13-,15+/m1/s1/i2+1
InChIKey XCGBUEODRGSOKV-QKPOKAPTSA-N
Molecular Weight 267.329 g/mol
SMILES OO[C@@]1(C(=CC[C@]2([C@@](CC[C@]3([C@](C(O[C@@]123)=O)(C)[H])[H])(C)[H])[H])[13CH3])[H]
SPLASH splash10-042i-0900000000-4eac357095bb080f4992
Source of Spectrum KC-57-8508-28
Wiley ID 1626092