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2-[18O]-Methylkallolide A

View entire compound with spectra: 1 MS (GC)

2-[18O]-Methylkallolide A
SpectraBase Compound ID 3K8RnBmVpp8
InChI InChI=1S/C21H26O4/c1-11(2)15-8-7-14-10-17(25-21(14)22)18(12(3)4)16-9-13(5)19(24-16)20(15)23-6/h9-10,15,17-18,20H,1,3,7-8H2,2,4-6H3/t15-,17+,18-,20-/m0/s1/i23+2
InChIKey DISLZNRHPHNCMR-YYOQZRIHSA-N
Mol Weight 344.44 g/mol
Molecular Formula C21H26O318O
Exact Mass 344.187354 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5wuR9XE3Djw
Name 2-[18O]-Methylkallolide A
Comments Original formula: C21H26O3[18O]
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H26O4
InChI InChI=1S/C21H26O4/c1-11(2)15-8-7-14-10-17(25-21(14)22)18(12(3)4)16-9-13(5)19(24-16)20(15)23-6/h9-10,15,17-18,20H,1,3,7-8H2,2,4-6H3/t15-,17+,18-,20-/m0/s1/i23+2
InChIKey DISLZNRHPHNCMR-YYOQZRIHSA-N
Molecular Weight 344.435 g/mol
SMILES c12oc([C@@]([C@@]3(OC(C(CC[C@]([C@@]2([18O]C)[H])(C(=C)C)[H])=C3)=O)[H])(C(=C)C)[H])cc1C
SPLASH splash10-001i-0901000000-1964528e2cfe011ff170
Source of Spectrum J-65-3197-12
Wiley ID 1532641