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Bakkenolide-Dg

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Bakkenolide-Dg
SpectraBase Compound ID 7Y3mBEBn2Yx
InChI InChI=1S/C21H28O7S/c1-12-6-7-15(27-14(3)22)17-18(28-16(23)8-9-29(5)25)21(11-20(12,17)4)13(2)10-26-19(21)24/h8-9,12,15,17-18H,2,6-7,10-11H2,1,3-5H3/b9-8-/t12-,15-,17+,18+,20+,21-,29?/m0/s1
InChIKey SHKOAUWVYUXTFU-NDGFAYQHSA-N
Mol Weight 424.51 g/mol
Molecular Formula C21H28O7S
Exact Mass 424.155574 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8MhcbrxLLtm
Name BAKKENOLIDE-DH
Compound Number 7
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H28O7S
InChI InChI=1S/C21H28O7S/c1-12-6-7-15(27-14(3)22)17-18(28-16(23)8-9-29(5)25)21(11-20(12,17)4)13(2)10-26-19(21)24/h8-9,12,15,17-18H,2,6-7,10-11H2,1,3-5H3/b9-8-/t12-,15-,17+,18+,20+,21-,29?/m0/s1
InChIKey SHKOAUWVYUXTFU-NDGFAYQHSA-N
Literature Reference Author T.S.WU,M.S.KAO,P.L.WU,F.W.LIN,L.S.SHI,M.J.LIOU,C.Y.LI
Literature Reference Citation CHEM.PHARM.BULL.,47,375(1999)
Literature Reference DOI 10.1248/cpb.47.375
Molecular Weight 424.509 g/mol
Solvent CDCl3
Source File Reference UWLU7870