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KIBALAURIFENONE;PREGN-3,5-DIENE-7-ONE-18,20-LACTONE
SpectraBase Compound ID KQC1ve2J3JM
InChI InChI=1S/C21H26O3/c1-12-14-6-7-16-18-15(8-10-21(14,16)19(23)24-12)20(2)9-4-3-5-13(20)11-17(18)22/h3,5,11-12,14-16,18H,4,6-10H2,1-2H3/t12-,14+,15-,16-,18+,20-,21-/m0/s1
InChIKey FVIRPNCHURITSK-AUEZAFRDSA-N
Mol Weight 326.44 g/mol
Molecular Formula C21H26O3
Exact Mass 326.188195 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8yV3m6DNvW2
Name KIBALAURIFENONE;PREGN-3,5-DIENE-7-ONE-18,20-LACTONE
Compound Number 8
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H26O3
InChI InChI=1S/C21H26O3/c1-12-14-6-7-16-18-15(8-10-21(14,16)19(23)24-12)20(2)9-4-3-5-13(20)11-17(18)22/h3,5,11-12,14-16,18H,4,6-10H2,1-2H3/t12-,14+,15-,16-,18+,20-,21-/m0/s1
InChIKey FVIRPNCHURITSK-AUEZAFRDSA-N
Literature Reference Author T.D.PHI,V.C.PHAM,H.D.T.MAI,M.LITAUDON,F.GUERITTE,V.H.NGUYEN, V.M.CHAU
Literature Reference Citation J.NAT.PROD.,74,1236(2011)
Literature Reference DOI 10.1021/np200165t
Molecular Weight 326.436 g/mol
Sample ID 38305
Solvent CDCl3